Home Cart 0 Sign in  
X

[ CAS No. 7484-34-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 7484-34-6
Chemical Structure| 7484-34-6
Chemical Structure| 7484-34-6
Structure of 7484-34-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 7484-34-6 ]

Related Doc. of [ 7484-34-6 ]

Alternatived Products of [ 7484-34-6 ]

Product Details of [ 7484-34-6 ]

CAS No. :7484-34-6 MDL No. :MFCD27923650
Formula : C6H14O6S2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZXTWNSRETGZRGO-UHFFFAOYSA-N
M.W : 246.30 Pubchem ID :303512
Synonyms :

Calculated chemistry of [ 7484-34-6 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 7
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 51.21
TPSA : 125.5 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) : -9.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.66
Log Po/w (XLOGP3) : -2.39
Log Po/w (WLOGP) : -0.04
Log Po/w (MLOGP) : -1.58
Log Po/w (SILICOS-IT) : -0.91
Consensus Log Po/w : -0.85

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.6
Solubility : 982.0 mg/ml ; 3.99 mol/l
Class : Highly soluble
Log S (Ali) : 0.29
Solubility : 484.0 mg/ml ; 1.97 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -1.02
Solubility : 23.7 mg/ml ; 0.0964 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.2

Safety of [ 7484-34-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P273-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335-H412 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 7484-34-6 ]

* 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 [ 7484-34-6 ]
  • Downstream synthetic route of [ 7484-34-6 ]

[ 7484-34-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 5244-34-8 ]
  • [ 7484-34-6 ]
Reference: [1] Chemical Communications (Cambridge, United Kingdom), 2012, vol. 48, # 95, p. 11632 - 11634,3
[2] Phosphorus, Sulfur and Silicon and the Related Elements, 2003, vol. 178, # 9, p. 2027 - 2046
[3] Yakugaku Zasshi, 1955, vol. 75, p. 1560,1563[4] Chem.Abstr., 1956, p. 10690
[5] Journal of Organic Chemistry, 1947, vol. 12, p. 264,266
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 7484-34-6 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 2580-77-0

[ 2580-77-0 ]

2,2'-Sulfonyldiethanol

Similarity: 0.88

Chemical Structure| 2516-97-4

[ 2516-97-4 ]

2-(Methylsulfonyl)acetic acid

Similarity: 0.69

Chemical Structure| 2058-49-3

[ 2058-49-3 ]

3-(Methylsulfonyl)propan-1-ol

Similarity: 0.63

Chemical Structure| 167940-02-5

[ 167940-02-5 ]

2,2'-(Oxybis(2,1-ethanediylsulfinyl))bisethanol

Similarity: 0.62

Chemical Structure| 62020-09-1

[ 62020-09-1 ]

Methyl 2-(methylsulfonyl)acetate

Similarity: 0.59

Alcohols

Chemical Structure| 2580-77-0

[ 2580-77-0 ]

2,2'-Sulfonyldiethanol

Similarity: 0.88

Chemical Structure| 22524-35-2

[ 22524-35-2 ]

3-Hydroxythietane 1,1-dioxide

Similarity: 0.71

Chemical Structure| 2058-49-3

[ 2058-49-3 ]

3-(Methylsulfonyl)propan-1-ol

Similarity: 0.63

Chemical Structure| 167940-02-5

[ 167940-02-5 ]

2,2'-(Oxybis(2,1-ethanediylsulfinyl))bisethanol

Similarity: 0.62

Chemical Structure| 194152-05-1

[ 194152-05-1 ]

4-Hydroxytetrahydro-2H-thiopyran 1,1-dioxide

Similarity: 0.57

Sulfones

Chemical Structure| 2580-77-0

[ 2580-77-0 ]

2,2'-Sulfonyldiethanol

Similarity: 0.88

Chemical Structure| 22524-35-2

[ 22524-35-2 ]

3-Hydroxythietane 1,1-dioxide

Similarity: 0.71

Chemical Structure| 2516-97-4

[ 2516-97-4 ]

2-(Methylsulfonyl)acetic acid

Similarity: 0.69

Chemical Structure| 2058-49-3

[ 2058-49-3 ]

3-(Methylsulfonyl)propan-1-ol

Similarity: 0.63

Chemical Structure| 62020-09-1

[ 62020-09-1 ]

Methyl 2-(methylsulfonyl)acetate

Similarity: 0.59