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Home > Pyridines > 188625-48-1
188625-48-1 | 2(3H)-Benzothiazolethione, 3-(2-pyridinyl)-
CAS No: 188625-48-1 Catalog No: AG002H2G MDL No:
Product Description
Catalog Number:
AG002H2G
Chemical Name:
2(3H)-Benzothiazolethione, 3-(2-pyridinyl)-
CAS Number:
188625-48-1
Molecular Formula:
C12H8N2S2
Molecular Weight:
244.3353
IUPAC Name:
3-pyridin-2-yl-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C12H8N2S2/c15-12-14(11-7-3-4-8-13-11)9-5-1-2-6-10(9)16-12/h1-8H
InChI Key:
JAYQHDMAZGSTFQ-UHFFFAOYSA-N
SMILES:
S=c1sc2c(n1c1ccccn1)cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.33g/mol
Monoisotopic Mass:
244.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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