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Home > Nitro Compounds > 924841-96-3
924841-96-3 | 4-methyl-5-(2-methyl-3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
CAS No: 924841-96-3 Catalog No: AG00JH4G MDL No:MFCD09064694
Product Description
Catalog Number:
AG00JH4G
Chemical Name:
4-methyl-5-(2-methyl-3-nitrophenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
924841-96-3
Molecular Formula:
C10H10N4O2S
Molecular Weight:
250.2770
MDL Number:
MFCD09064694
IUPAC Name:
4-methyl-3-(2-methyl-3-nitrophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10N4O2S/c1-6-7(4-3-5-8(6)14(15)16)9-11-12-10(17)13(9)2/h3-5H,1-2H3,(H,12,17)
InChI Key:
HGRVFQHHOITPSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)c1nnc(n1C)S
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.276g/mol
Monoisotopic Mass:
250.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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