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149668-97-3 | 2(1H)-Quinoxalinethione, 3,4-dihydro-3-methyl-
CAS No: 149668-97-3 Catalog No: AG001LX6 MDL No:
Product Description
Catalog Number:
AG001LX6
Chemical Name:
2(1H)-Quinoxalinethione, 3,4-dihydro-3-methyl-
CAS Number:
149668-97-3
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
IUPAC Name:
3-methyl-3,4-dihydro-1H-quinoxaline-2-thione
InChI:
InChI=1S/C9H10N2S/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6,10H,1H3,(H,11,12)
InChI Key:
ZPCPNLFCPYHDQX-UHFFFAOYSA-N
SMILES:
CC1Nc2ccccc2NC1=S
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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