1,2-Oxazole-5-carbothioamide

Base Information

• Chemical Name: 1,2-Oxazole-5-carbothioamide
• CAS No.: 175334-72-2
• Molecular Formula: C4H4N2OS
• Molecular Weight: 128.15
• Hs Code.: 2934999090
• European Community (EC) Number: 846-947-0
• DSSTox Substance ID: DTXSID00384079
• Nikkaji Number: J3.238.200B
• Wikidata: Q82176000
• Mol file: 175334-72-2.mol

Synonyms:1,2-oxazole-5-carbothioamide;Isoxazole-5-carbothioamide;175334-72-2;Isoxazole-5-thiocarboxamide;Isoxazole-5-carbothioic acid amide;Isoxazole-5-carboxthioamide;SCHEMBL2086499;DTXSID00384079;CEDRGDFENMZKCQ-UHFFFAOYSA-N;MFCD00276995;AKOS006229415;isoxazole-5-carbothioamide, AldrichCPR;PS-9798;CS-0215978;FT-0627540;EN300-316771;JAB

Chemical Property of 1,2-Oxazole-5-carbothioamide

Chemical Property:

• Vapor Pressure: 0.00251mmHg at 25°C
• Refractive Index: 1.632
• Boiling Point: 287.2 °C at 760 mmHg
• Flash Point: 127.5 °C
• PSA: 84.14000
• Density: 1.392 g/cm³
• LogP: 1.00910
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 128.00443393
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

Isoxazole-5-thiocarboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(ON=C1)C(=S)N