200,000+ products from a single source!
sales@angenechem.com
88322-66-1 | 2(1H)-Quinolinethione, 3-(3-hydroxybutyl)-4-methyl-
CAS No: 88322-66-1 Catalog No: AG0089WW MDL No:
Product Description
Catalog Number:
AG0089WW
Chemical Name:
2(1H)-Quinolinethione, 3-(3-hydroxybutyl)-4-methyl-
CAS Number:
88322-66-1
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
IUPAC Name:
3-(3-hydroxybutyl)-4-methyl-1H-quinoline-2-thione
InChI:
InChI=1S/C14H17NOS/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6,9,16H,7-8H2,1-2H3,(H,15,17)
InChI Key:
DGLDCTRZVCQEFR-UHFFFAOYSA-N
SMILES:
CC(CCc1c(=S)[nH]c2c(c1C)cccc2)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.356g/mol
Monoisotopic Mass:
247.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
© 2019 Angene International Limited. All rights Reserved.