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89806-20-2 | 4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine
CAS No: 89806-20-2 Catalog No: AG003YA7 MDL No:
Product Description
Catalog Number:
AG003YA7
Chemical Name:
4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyridine
CAS Number:
89806-20-2
Molecular Formula:
C8H7N3S2
Molecular Weight:
209.2913
IUPAC Name:
2-methylsulfanyl-5-pyridin-4-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C8H7N3S2/c1-12-8-11-10-7(13-8)6-2-4-9-5-3-6/h2-5H,1H3
InChI Key:
JWYZEKAEHIXWIV-UHFFFAOYSA-N
SMILES:
CSc1nnc(s1)c1ccncc1
NSC Number:
150832
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.285g/mol
Monoisotopic Mass:
209.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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