(2Z)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide

Base Information

• Chemical Name: (2Z)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide
• CAS No.: 132252-86-9
• Molecular Formula: C₁₀H₇FN₂S
• Molecular Weight: 206.243
• DSSTox Substance ID: DTXSID901212716
• ChEMBL ID: CHEMBL1406323
• Mol file: 132252-86-9.mol

Synonyms:(2Z)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide;132252-86-9;(Z)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide;MLS000695960;CHEMBL1406323;DTXSID901212716;HMS2662J24;MFCD01049135;STL168968;AKOS005367021;8M-557S;SMR000334877;2-Propenethioamide, 2-cyano-3-(4-fluorophenyl)-, (Z)-

Chemical Property of (2Z)-2-cyano-3-(4-fluorophenyl)prop-2-enethioamide

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.03139757
• Heavy Atom Count: 14
• Complexity: 295

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C(C#N)C(=S)N)F
• Isomeric SMILES: C1=CC(=CC=C1/C=C(/C#N)\C(=S)N)F