200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87388-31-6
87388-31-6 | 1H-Pyrrole-3-carbonitrile, 4-[2-(ethylsulfinyl)phenyl]-
CAS No: 87388-31-6 Catalog No: AG004GUL MDL No:
Product Description
Catalog Number:
AG004GUL
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-[2-(ethylsulfinyl)phenyl]-
CAS Number:
87388-31-6
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
IUPAC Name:
4-(2-ethylsulfinylphenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C13H12N2OS/c1-2-17(16)13-6-4-3-5-11(13)12-9-15-8-10(12)7-14/h3-6,8-9,15H,2H2,1H3
InChI Key:
SUWZMIXGRUQSIU-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1ccccc1S(=O)CC
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.