200,000+ products from a single source!
sales@angenechem.com
87389-52-4 | 1H-Pyrrole-3-carbonitrile, 4-(4-pyridinyl)-1-[(trichloromethyl)thio]-
CAS No: 87389-52-4 Catalog No: AG004JW2 MDL No:
Product Description
Catalog Number:
AG004JW2
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(4-pyridinyl)-1-[(trichloromethyl)thio]-
CAS Number:
87389-52-4
Molecular Formula:
C11H6Cl3N3S
Molecular Weight:
318.6094
IUPAC Name:
4-pyridin-4-yl-1-(trichloromethylsulfanyl)pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H6Cl3N3S/c12-11(13,14)18-17-6-9(5-15)10(7-17)8-1-3-16-4-2-8/h1-4,6-7H
InChI Key:
WPDNOKFVOJRMOS-UHFFFAOYSA-N
SMILES:
N#Cc1cn(cc1c1ccncc1)SC(Cl)(Cl)Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.935g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.6g/mol
Monoisotopic Mass:
316.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.