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76076-27-2 | 4(1H)-Quinolinethione
CAS No: 76076-27-2 Catalog No: AG0058CS MDL No:
Product Description
Catalog Number:
AG0058CS
Chemical Name:
4(1H)-Quinolinethione
CAS Number:
76076-27-2
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
IUPAC Name:
1H-quinoline-4-thione
InChI:
InChI=1S/C9H7NS/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChI Key:
ROYCCMJSURLMLI-UHFFFAOYSA-N
SMILES:
S=c1cc[nH]c2c1cccc2
NSC Number:
248943
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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