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Home > Nitro Compounds > 353256-64-1
353256-64-1 | 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitropyridine
CAS No: 353256-64-1 Catalog No: AG00JH8G MDL No:MFCD01832988
Product Description
Catalog Number:
AG00JH8G
Chemical Name:
2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitropyridine
CAS Number:
353256-64-1
Molecular Formula:
C8H6N4O2S2
Molecular Weight:
254.2888
MDL Number:
MFCD01832988
IUPAC Name:
2-methyl-5-(3-nitropyridin-2-yl)sulfanyl-1,3,4-thiadiazole
InChI:
InChI=1S/C8H6N4O2S2/c1-5-10-11-8(15-5)16-7-6(12(13)14)3-2-4-9-7/h2-4H,1H3
InChI Key:
KVMNTVFDQCRUMR-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)Sc1ncccc1[N+](=O)[O-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.282g/mol
Monoisotopic Mass:
253.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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