4-Iodoisothiazole-5-carboxaldehyde thiosemicarbazone

Base Information

• Chemical Name: 4-Iodoisothiazole-5-carboxaldehyde thiosemicarbazone
• CAS No.: 3683-67-8
• Molecular Formula: C5H5 I N4 S2
• Molecular Weight: 312.1545
• Mol file: 3683-67-8.mol

Synonyms:4-Iodoisothiazole-5-carboxaldehyde thiosemicarbazone;BRN 0521842;ISOTHIAZOLE-5-CARBOXALDEHYDE, 4-IODO-, THIOSEMICARBAZONE;C5H5IN4S2;C5-H5-I-N4-S2;3683-67-8;5-Isothiazolecarboxaldehyde, 4-iodo-, thiosemicarbazone;LS-86281;[(E)-(4-iodoisothiazol-5-yl)methyleneamino]thiourea;Hydrazinecarbothioamide, 2-[(4-iodo-5-isothiazolyl)methylene]-, (2E)-

Chemical Property of 4-Iodoisothiazole-5-carboxaldehyde thiosemicarbazone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 317.5°Cat760mmHg
• Flash Point: 145.8°C
• PSA: 128.17000
• Density: 2.29g/cm³
• LogP: 2.02640
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 311.90004
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NSC(=C1I)C=NNC(=S)N
• Isomeric SMILES: C1=NSC(=C1I)/C=N/NC(=S)N

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