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16250-66-1 | 8-Quinolinethiol, 6-bromo-
CAS No: 16250-66-1 Catalog No: AG001T7S MDL No:
Product Description
Catalog Number:
AG001T7S
Chemical Name:
8-Quinolinethiol, 6-bromo-
CAS Number:
16250-66-1
Molecular Formula:
C9H6BrNS
Molecular Weight:
240.1196
IUPAC Name:
6-bromoquinoline-8-thiol
InChI:
InChI=1S/C9H6BrNS/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H
InChI Key:
YELIDDYYNRFSRO-UHFFFAOYSA-N
SMILES:
Brc1cc2cccnc2c(c1)S
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.94g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.118g/mol
Monoisotopic Mass:
238.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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