Ethanethioic acid,S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ester supplier

Name
S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ethanethioate
EINECS 279-894-1
CAS No. 82049-48-7
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₄O₂S
Boiling Point
Molecular Weight 214.2449
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms S-(4-Acetamido-5-methyl-1,2,4-triazol-3-yl) ethanethioate;
PSA 105.67000
LogP 0.96460

Ethanethioic acid,S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ester Specification

The Ethanethioic acid,S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ester, with the CAS registry number 82049-48-7, is also known as S-[4-(Acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ethanethioate. Its EINECS registry number is 279-894-1. This chemical's molecular formula is C₇H₁₀N₄O₂S and molecular weight is 214.2449. What's more, its IUPAC name is called S-(4-Acetamido-5-methyl-1,2,4-triazol-3-yl) ethanethioate.

Physical properties about Ethanethioic acid,S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ester are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.94; (5)ACD/KOC (pH 7.4): 16.94; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 93.39 Å²; (10)Index of Refraction: 1.654; (11)Molar Refractivity: 54.33 cm³; (12)Molar Volume: 148.1 cm³; (13)Surface Tension: 53.9 dyne/cm; (14)Density: 1.44 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Sc1nnc(n1NC(=O)C)C)C
(2) InChI: InChI=1/C7H10N4O2S/c1-4-8-9-7(14-6(3)13)11(4)10-5(2)12/h1-3H3,(H,10,12)
(3) InChIKey: PYDSMPVYGIXTGX-UHFFFAOYAA

Product Name

S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ethanethioate

Ethanethioic acid,S-[4-(acetylamino)-5-methyl-4H-1,2,4-triazol-3-yl] ester Specification

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