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Home > Pyridines > 156122-19-9
156122-19-9 | 1,2,4-Thiadiazole-5(2H)-thione, 3-(4-pyridinyl)-
CAS No: 156122-19-9 Catalog No: AG001OJ3 MDL No:
Product Description
Catalog Number:
AG001OJ3
Chemical Name:
1,2,4-Thiadiazole-5(2H)-thione, 3-(4-pyridinyl)-
CAS Number:
156122-19-9
Molecular Formula:
C7H5N3S2
Molecular Weight:
195.2647
IUPAC Name:
3-pyridin-4-yl-2H-1,2,4-thiadiazole-5-thione
InChI:
InChI=1S/C7H5N3S2/c11-7-9-6(10-12-7)5-1-3-8-4-2-5/h1-4H,(H,9,10,11)
InChI Key:
BETKWXPWNCGYLX-UHFFFAOYSA-N
SMILES:
S=c1s[nH]c(n1)c1ccncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.258g/mol
Monoisotopic Mass:
194.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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