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28819-38-7 | 1,3,4-Thiadiazole-2(3H)-thione, 5-(3-pyridinyl)-
CAS No: 28819-38-7 Catalog No: AG002WNB MDL No:
Product Description
Catalog Number:
AG002WNB
Chemical Name:
1,3,4-Thiadiazole-2(3H)-thione, 5-(3-pyridinyl)-
CAS Number:
28819-38-7
Molecular Formula:
C7H5N3S2
Molecular Weight:
195.2647
IUPAC Name:
5-pyridin-3-yl-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C7H5N3S2/c11-7-10-9-6(12-7)5-2-1-3-8-4-5/h1-4H,(H,10,11)
InChI Key:
JKGZFPMDTJXQEC-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(s1)c1cccnc1
Properties
Complexity:
227
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:
4
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:
1.5
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