1-Isothiazol-3-ylmethylenethiosemicarbazide

Base Information

• Chemical Name: 1-Isothiazol-3-ylmethylenethiosemicarbazide
• CAS No.: 3683-38-3
• Molecular Formula: C5H6N4S2
• Molecular Weight: 186.2579
• Hs Code.: 2934999090
• Mol file: 3683-38-3.mol

Synonyms:BRN 0512843;1-Isothiazol-3-ylmethylenethiosemicarbazide;Thiosemicarbazide, 1-isothiazol-3-ylmethylene-;ISOTHIAZOLE-3-CARBOXALDEHYDE, THIOSEMICARBAZONE;3683-38-3;3-Isothiazolecarboxaldehyde, thiosemicarbazone;LS-86288;[(E)-isothiazol-3-ylmethyleneamino]thiourea;Hydrazinecarbothioamide, 2-(3-isothiazolylmethylene)-, (2E)-

Chemical Property of 1-Isothiazol-3-ylmethylenethiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Boiling Point: 260.1°Cat760mmHg
• Flash Point: 111.1°C
• PSA: 128.17000
• Density: 1.57g/cm³
• LogP: 1.42180
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.00338856
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSN=C1C=NNC(=S)N
• Isomeric SMILES: C1=CSN=C1/C=N/NC(=S)N