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14945-74-5 | 1(2H)-Isoquinolinethione, 2-methyl-
CAS No: 14945-74-5 Catalog No: AG001LPP MDL No:
Product Description
Catalog Number:
AG001LPP
Chemical Name:
1(2H)-Isoquinolinethione, 2-methyl-
CAS Number:
14945-74-5
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
IUPAC Name:
2-methylisoquinoline-1-thione
InChI:
InChI=1S/C10H9NS/c1-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3
InChI Key:
IEXYLQOPBXUDSK-UHFFFAOYSA-N
SMILES:
Cn1ccc2c(c1=S)cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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