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5757-43-7 | 5-PYRIDIN-2-YL-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-THIOL
CAS No: 5757-43-7 Catalog No: AG00EZT8 MDL No:MFCD01934862
Product Description
Catalog Number:
AG00EZT8
Chemical Name:
5-PYRIDIN-2-YL-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-THIOL
CAS Number:
5757-43-7
Molecular Formula:
C7H7N3S2
Molecular Weight:
197.2806
MDL Number:
MFCD01934862
IUPAC Name:
5-pyridin-2-yl-1,3,4-thiadiazolidine-2-thione
InChI:
InChI=1S/C7H7N3S2/c11-7-10-9-6(12-7)5-3-1-2-4-8-5/h1-4,6,9H,(H,10,11)
InChI Key:
RPEZNEWKKCQFAN-UHFFFAOYSA-N
SMILES:
SC1=NNC(S1)c1ccccn1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.274g/mol
Monoisotopic Mass:
197.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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