2-(Benzenecarbonothioylthio)acetic acid

Base Information

• Chemical Name: 2-(Benzenecarbonothioylthio)acetic acid
• CAS No.: 99827-19-7
• Deprecated CAS: 159446-73-8
• Molecular Formula: C25H24F2N6O2Si
• Molecular Weight: 506.5794

Synonyms:99827-19-7;Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester, mixt. with 1-((bis(4-fluorophenyl)methylsilyl)methyl)-1H-1,2,4-triazole;AKOS040751026;2-(Benzenecarbonothioylthio)acetic acid;bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane;methyl N-(1H-benzimidazol-2-yl)carbamate

Chemical Property of 2-(Benzenecarbonothioylthio)acetic acid

Chemical Property:

• Vapor Pressure: 2.28E-06mmHg at 25°C
• Boiling Point: 392.5°C at 760 mmHg
• Flash Point: 191.2°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 506.16980689
• Heavy Atom Count: 36
• Complexity: 555

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)NC1=NC2=CC=CC=C2N1.C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

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