Home Nitriles 3-Methylbenzo[b]thiophene-5-carbonitrile

3-Methylbenzo[b]thiophene-5-carbonitrile

CAS No.:
19404-23-0
Catalog Number:
AG007RSI
Molecular Formula:
C10H7NS
Molecular Weight:
173.2343
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007RSI
Chemical Name:
3-Methylbenzo[b]thiophene-5-carbonitrile
CAS Number:
19404-23-0
Molecular Formula:
C10H7NS
Molecular Weight:
173.2343
MDL Number:
MFCD05664868
IUPAC Name:
3-methyl-1-benzothiophene-5-carbonitrile
InChI:
InChI=1S/C10H7NS/c1-7-6-12-10-3-2-8(5-11)4-9(7)10/h2-4,6H,1H3
InChI Key:
ZTQCBMORZGYXEV-UHFFFAOYSA-N
SMILES:
Cc1csc2c1cc(cc2)C#N
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.233g/mol
Monoisotopic Mass:
173.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties