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33682-78-9 | 1-ETHYL-6-METHYL-2(1H)-QUINOLINETHIONE
CAS No: 33682-78-9 Catalog No: AG007CSE MDL No:
Product Description
Catalog Number:
AG007CSE
Chemical Name:
1-ETHYL-6-METHYL-2(1H)-QUINOLINETHIONE
CAS Number:
33682-78-9
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
IUPAC Name:
1-ethyl-6-methylquinoline-2-thione
InChI:
InChI=1S/C12H13NS/c1-3-13-11-6-4-9(2)8-10(11)5-7-12(13)14/h4-8H,3H2,1-2H3
InChI Key:
LDMVNONUSZSNAQ-UHFFFAOYSA-N
SMILES:
CCn1c(=S)ccc2c1ccc(c2)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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