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[ CAS No. 593-84-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 593-84-0
Chemical Structure| 593-84-0
Structure of 593-84-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 593-84-0 ]

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Alternatived Products of [ 593-84-0 ]

Product Details of [ 593-84-0 ]

CAS No. :593-84-0 MDL No. :MFCD00013027
Formula : C2H6N4S Boiling Point : -
Linear Structure Formula :- InChI Key :ZJYYHGLJYGJLLN-UHFFFAOYSA-N
M.W : 118.16 Pubchem ID :65046
Synonyms :

Calculated chemistry of [ 593-84-0 ]

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 3.0
Molar Refractivity : 30.53
TPSA : 138.48 Ų

Pharmacokinetics

GI absorption : Low
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) : -7.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.73
Log Po/w (XLOGP3) : -0.78
Log Po/w (WLOGP) : -0.76
Log Po/w (MLOGP) : -1.13
Log Po/w (SILICOS-IT) : -0.79
Consensus Log Po/w : -0.55

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.08
Solubility : 98.0 mg/ml ; 0.829 mol/l
Class : Very soluble
Log S (Ali) : -1.65
Solubility : 2.65 mg/ml ; 0.0224 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.92
Solubility : 987.0 mg/ml ; 8.36 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 4.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.36

Safety of [ 593-84-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P264-P270-P271-P280-P284-P304+P340-P305+P351+P338-P310-P330-P331-P303+P361+P353-P363-P403+P233-P501 UN#:3261
Hazard Statements:H314-H412-H302+H312+H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 593-84-0 ]

* 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 [ 593-84-0 ]
  • Downstream synthetic route of [ 593-84-0 ]

[ 593-84-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 593-84-0 ]
  • [ 94-02-0 ]
  • [ 56741-94-7 ]
Reference: [1] Journal of the American Chemical Society, 1914, vol. 36, p. 1205
  • 2
  • [ 593-84-0 ]
  • [ 609-08-5 ]
  • [ 55477-35-5 ]
Reference: [1] Chemische Berichte, 1905, vol. 38, p. 3397
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