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917746-33-9 | 3-Ethyl-6-methyl-quinoline-2-thiol
CAS No: 917746-33-9 Catalog No: AG01EZ4C MDL No:
Product Description
Catalog Number:
AG01EZ4C
Chemical Name:
3-Ethyl-6-methyl-quinoline-2-thiol
CAS Number:
917746-33-9
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
IUPAC Name:
3-ethyl-6-methyl-1H-quinoline-2-thione
InChI:
InChI=1S/C12H13NS/c1-3-9-7-10-6-8(2)4-5-11(10)13-12(9)14/h4-7H,3H2,1-2H3,(H,13,14)
InChI Key:
ZLSPZGIQMROUIE-UHFFFAOYSA-N
SMILES:
CCc1cc2cc(C)ccc2nc1S
Properties
Complexity:
270
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:
1
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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