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77168-63-9 | 4-(4-Pyridinyl)thiazole-2-thiol
CAS No: 77168-63-9 Catalog No: AG0033T3 MDL No:MFCD11506654
Product Description
Catalog Number:
AG0033T3
Chemical Name:
4-(4-Pyridinyl)thiazole-2-thiol
CAS Number:
77168-63-9
Molecular Formula:
C8H6N2S2
Molecular Weight:
194.2766
MDL Number:
MFCD11506654
IUPAC Name:
4-pyridin-4-yl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C8H6N2S2/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11)
InChI Key:
LEQNUYXXLYRUNY-UHFFFAOYSA-N
SMILES:
Sc1scc(n1)c1ccncc1
EC Number:
616-441-2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.27g/mol
Monoisotopic Mass:
193.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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