4-(Bromomethyl)thiophene-3-carbonitrile

Base Information

• Chemical Name: 4-(Bromomethyl)thiophene-3-carbonitrile
• CAS No.: 99708-91-5
• Molecular Formula: C₆H₄BrNS
• Molecular Weight: 202.074
• DSSTox Substance ID: DTXSID40543643
• Wikidata: Q82420584
• Mol file: 99708-91-5.mol

Synonyms:99708-91-5;3-Thiophenecarbonitrile, 4-(bromomethyl)-;4-(Bromomethyl)thiophene-3-carbonitrile;3-(bromomethyl)-4-cyanothiophene;4-Bromomethyl-thiophene-3-carbonitrile;SCHEMBL2478524;DTXSID40543643;BQJRTPJRGNMJQS-UHFFFAOYSA-N

Chemical Property of 4-(Bromomethyl)thiophene-3-carbonitrile

Chemical Property:

• PSA: 52.03000
• LogP: 2.51468
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 200.92478
• Heavy Atom Count: 9
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=CS1)C#N)CBr