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Home > Nitro Compounds > 73768-73-7
73768-73-7 | 5-[(3-nitropyridin-2-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol
CAS No: 73768-73-7 Catalog No: AG00IN3U MDL No:MFCD01568721
Product Description
Catalog Number:
AG00IN3U
Chemical Name:
5-[(3-nitropyridin-2-yl)sulfanyl]-1,3,4-thiadiazole-2-thiol
CAS Number:
73768-73-7
Molecular Formula:
C7H4N4O2S3
Molecular Weight:
272.3273
MDL Number:
MFCD01568721
IUPAC Name:
5-(3-nitropyridin-2-yl)sulfanyl-3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C7H4N4O2S3/c12-11(13)4-2-1-3-8-5(4)15-7-10-9-6(14)16-7/h1-3H,(H,9,14)
InChI Key:
APDJURLGRLOQEF-UHFFFAOYSA-N
SMILES:
Sc1nnc(s1)Sc1ncccc1[N+](=O)[O-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.315g/mol
Monoisotopic Mass:
271.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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