1-(4-Chloro-5-isothiazolyl)methylenethiosemicarbazide

Base Information

• Chemical Name: 1-(4-Chloro-5-isothiazolyl)methylenethiosemicarbazide
• CAS No.: 3683-65-6
• Molecular Formula: C5H5ClN4S2
• Molecular Weight: 220.703
• Mol file: 3683-65-6.mol

Synonyms:BRN 0521335;4-Chloroisothiazole-5-carboxaldehyde thiosemicarbazone;1-(4-Chloro-5-isothiazolyl)methylenethiosemicarbazide;Thiosemicarbazide, 1-(4-chloro-5-isothiazolyl)methylene-;ISOTHIAZOLE-5-CARBOXALDEHYDE, 4-CHLORO-, THIOSEMICARBAZONE;C5H5ClN4S2;3683-65-6;C5-H5-Cl-N4-S2;5-Isothiazolecarboxaldehyde, 4-chloro-, thiosemicarbazone;LS-86280;[(E)-(4-chloroisothiazol-5-yl)methyleneamino]thiourea;Hydrazinecarbothioamide, 2-[(4-chloro-5-isothiazolyl)methylene]-, (2E)-

Chemical Property of 1-(4-Chloro-5-isothiazolyl)methylenethiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Boiling Point: 279.7°Cat760mmHg
• Flash Point: 123°C
• PSA: 123.63000
• Density: 1.72g/cm³
• LogP: 2.05480
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 219.9644162
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

1-(4-CHLORO-5-ISOTHIAZOLYL)METHYLENETHIOSEMICARBAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NSC(=C1Cl)C=NNC(=S)N
• Isomeric SMILES: C1=NSC(=C1Cl)/C=N/NC(=S)N