Home Cart 0 Sign in  

[ CAS No. 1184-90-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1184-90-3
Chemical Structure| 1184-90-3
Structure of 1184-90-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1184-90-3 ]

Related Doc. of [ 1184-90-3 ]

Alternatived Products of [ 1184-90-3 ]

Product Details of [ 1184-90-3 ]

CAS No. :1184-90-3 MDL No. :MFCD19203404
Formula : CH4N2O3S Boiling Point : -
Linear Structure Formula :- InChI Key :AOPRFYAPABFRPU-UHFFFAOYSA-N
M.W : 124.12 Pubchem ID :9877361
Synonyms :

Calculated chemistry of [ 1184-90-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 23.75
TPSA : 112.62 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.44
Log Po/w (XLOGP3) : -1.59
Log Po/w (WLOGP) : -0.15
Log Po/w (MLOGP) : -2.27
Log Po/w (SILICOS-IT) : -0.05
Consensus Log Po/w : -1.1

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.46
Solubility : 356.0 mg/ml ; 2.87 mol/l
Class : Highly soluble
Log S (Ali) : -0.27
Solubility : 67.2 mg/ml ; 0.542 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.08
Solubility : 1490.0 mg/ml ; 12.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.0

Safety of [ 1184-90-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1184-90-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1184-90-3 ]
  • Downstream synthetic route of [ 1184-90-3 ]

[ 1184-90-3 ] Synthesis Path-Upstream   1~13

  • 1
  • [ 1184-90-3 ]
  • [ 99-56-9 ]
  • [ 6232-92-4 ]
Reference: [1] Chinese Journal of Chemistry, 2011, vol. 29, # 5, p. 1055 - 1058
  • 2
  • [ 1184-90-3 ]
  • [ 134-20-3 ]
  • [ 20198-19-0 ]
  • [ 40078-06-6 ]
Reference: [1] Synthetic Communications, 1998, vol. 28, # 11, p. 2125 - 2129
[2] Synthetic Communications, 1998, vol. 28, # 11, p. 2125 - 2129
  • 3
  • [ 3256-06-2 ]
  • [ 505-14-6 ]
  • [ 1184-90-3 ]
  • [ 1758-73-2 ]
  • [ 17356-08-0 ]
  • [ 57-13-6 ]
Reference: [1] Science China Chemistry, 2012, vol. 55, # 2, p. 235 - 241
  • 4
  • [ 7722-84-1 ]
  • [ 1184-90-3 ]
  • [ 3256-06-2 ]
  • [ 1758-73-2 ]
Reference: [1] Dalton Transactions, 2013, vol. 42, # 13, p. 4725 - 4729
  • 5
  • [ 1758-73-2 ]
  • [ 1184-90-3 ]
YieldReaction ConditionsOperation in experiment
82% With peracetic acid In acetic acid at 0 - 20℃; for 16 h; [0246] Aminoiminomethanesulfonic acid (3.7). The procedure developed by Mosher et al. was followed.12 To a mixture containing 0.633 g (5.85 mmol) of 3.6 in 3.0 mL of glacial acetic acid at 0° C. was slowly added 1.56 mL of 32percent peracetic acid. The reaction mixture was then stirred for 16 h at room temperature. The precipitate was filtered and washed with five 5 mL portions of absolute ethanol and dried to give 3.7 as a white crystalline solid: yield 596 mg (82percent).mp 125-126° C.
Reference: [1] Tetrahedron Letters, 1988, vol. 29, # 26, p. 3183 - 3186
[2] Synthetic Communications, 2001, vol. 31, # 19, p. 2891 - 2893
[3] Medicinal Chemistry, 2012, vol. 8, # 5, p. 928 - 933,6
[4] Patent: US2004/260073, 2004, A1, . Location in patent: Page/Page column 15; 22
[5] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1992, # 23, p. 3179 - 3184
[6] Organic Letters, 1999, vol. 1, # 12, p. 1875 - 1877
[7] Recueil des Travaux Chimiques des Pays-Bas, 1936, vol. 55, p. 1042,1045[8] Recueil des Travaux Chimiques des Pays-Bas, 1948, vol. 67, p. 612
[9] Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences, 1936, vol. 39, p. 719,721[10] Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences, 1938, vol. 41, p. 75
[11] Journal of Physical Chemistry A, 1998, vol. 102, # 34, p. 6786 - 6792
  • 6
  • [ 17356-08-0 ]
  • [ 1184-90-3 ]
Reference: [1] Synthesis, 1986, # 9, p. 777 - 779
[2] Chinese Journal of Chemistry, 2011, vol. 29, # 5, p. 1055 - 1058
[3] Analytical Chemistry, 2003, vol. 75, # 8, p. 1895 - 1904
[4] Recueil des Travaux Chimiques des Pays-Bas, 1936, vol. 55, p. 1042,1045[5] Recueil des Travaux Chimiques des Pays-Bas, 1948, vol. 67, p. 612
[6] Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences, 1936, vol. 39, p. 719,721[7] Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences, 1938, vol. 41, p. 75
[8] Collection of Czechoslovak Chemical Communications, 1956, vol. 21, p. 1108
  • 7
  • [ 1758-73-2 ]
  • [ 1184-90-3 ]
  • [ 57-13-6 ]
Reference: [1] Journal of Physical Chemistry, 1995, vol. 99, p. 1523 - 1529
  • 8
  • [ 17356-08-0 ]
  • [ 1184-90-3 ]
  • [ 57-13-6 ]
Reference: [1] Journal of Physical Chemistry, 1994, vol. 98, # 2, p. 551 - 557
  • 9
  • [ 3256-06-2 ]
  • [ 505-14-6 ]
  • [ 1184-90-3 ]
  • [ 1758-73-2 ]
  • [ 17356-08-0 ]
  • [ 57-13-6 ]
Reference: [1] Science China Chemistry, 2012, vol. 55, # 2, p. 235 - 241
  • 10
  • [ 79-21-0 ]
  • [ 64-19-7 ]
  • [ 1758-73-2 ]
  • [ 1184-90-3 ]
Reference: [1] Pr.Acad.Amsterdam, 1936, vol. 39, p. 718 - 720[2] Pr.Acad.Amsterdam, 1938, vol. 41, p. 74
[3] Recueil des Travaux Chimiques des Pays-Bas, 1936, vol. 55, p. 1042,1045[4] Recueil des Travaux Chimiques des Pays-Bas, 1948, vol. 67, p. 612
[5] Recueil des Travaux Chimiques des Pays-Bas, 1948, vol. 67, p. 603,618
  • 11
  • [ 7722-84-1 ]
  • [ 1184-90-3 ]
  • [ 3256-06-2 ]
  • [ 1758-73-2 ]
Reference: [1] Dalton Transactions, 2013, vol. 42, # 13, p. 4725 - 4729
  • 12
  • [ 79-21-0 ]
  • [ 64-19-7 ]
  • [ 17356-08-0 ]
  • [ 1184-90-3 ]
Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1936, vol. 55, p. 1042,1045[2] Recueil des Travaux Chimiques des Pays-Bas, 1948, vol. 67, p. 612
  • 13
  • [ 498-94-2 ]
  • [ 1184-90-3 ]
  • [ 135322-16-6 ]
Reference: [1] Patent: US5051405, 1991, A,
[2] Patent: US5064814, 1991, A,
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1184-90-3 ]

Sulfonic Acids

Chemical Structure| 64205-92-1

[ 64205-92-1 ]

4,5-Dihydro-1H-imidazole-2-sulfonic acid

Similarity: 0.56