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917749-58-7 | 3,7,8-Trimethyl-quinoline-2-thiol
CAS No: 917749-58-7 Catalog No: AG01EZ7F MDL No:
Product Description
Catalog Number:
AG01EZ7F
Chemical Name:
3,7,8-Trimethyl-quinoline-2-thiol
CAS Number:
917749-58-7
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
IUPAC Name:
3,7,8-trimethyl-1H-quinoline-2-thione
InChI:
InChI=1S/C12H13NS/c1-7-4-5-10-6-8(2)12(14)13-11(10)9(7)3/h4-6H,1-3H3,(H,13,14)
InChI Key:
DXFYSMHPSSOZHZ-UHFFFAOYSA-N
SMILES:
Sc1nc2c(cc1C)ccc(c2C)C
Properties
Complexity:
282
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:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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