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188757-99-5 | 2-Propenenitrile, 3,3-bis(5-quinolinylthio)-
CAS No: 188757-99-5 Catalog No: AG002H9Z MDL No:
Product Description
Catalog Number:
AG002H9Z
Chemical Name:
2-Propenenitrile, 3,3-bis(5-quinolinylthio)-
CAS Number:
188757-99-5
Molecular Formula:
C21H13N3S2
Molecular Weight:
371.4780
IUPAC Name:
3,3-bis(quinolin-5-ylsulfanyl)prop-2-enenitrile
InChI:
InChI=1S/C21H13N3S2/c22-12-11-21(25-19-9-1-7-17-15(19)5-3-13-23-17)26-20-10-2-8-18-16(20)6-4-14-24-18/h1-11,13-14H
InChI Key:
SKUPYGLFZRNTSF-UHFFFAOYSA-N
SMILES:
N#CC=C(Sc1cccc2c1cccn2)Sc1cccc2c1cccn2
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.055g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.476g/mol
Monoisotopic Mass:
371.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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