200,000+ products from a single source!
sales@angenechem.com
116526-42-2 | 3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-
CAS No: 116526-42-2 Catalog No: AG000COM MDL No:MFCD00103438
Product Description
Catalog Number:
AG000COM
Chemical Name:
3-Thiophenecarbonitrile, 4-(4-chlorophenyl)-2-(methylthio)-
CAS Number:
116526-42-2
Molecular Formula:
C12H8ClNS2
Molecular Weight:
265.7816
MDL Number:
MFCD00103438
IUPAC Name:
4-(4-chlorophenyl)-2-methylsulfanylthiophene-3-carbonitrile
InChI:
InChI=1S/C12H8ClNS2/c1-15-12-10(6-14)11(7-16-12)8-2-4-9(13)5-3-8/h2-5,7H,1H3
InChI Key:
PSQCZWWOKDAVQV-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC)scc1c1ccc(cc1)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.773g/mol
Monoisotopic Mass:
264.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.