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Home > Nitro Compounds > 123229-10-7
123229-10-7 | 2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-
CAS No: 123229-10-7 Catalog No: AG000K77 MDL No:
Product Description
Catalog Number:
AG000K77
Chemical Name:
2H-1,5-Benzodiazepine-2-thione, 1,3,4,5-tetrahydro-4-methyl-7-nitro-
CAS Number:
123229-10-7
Molecular Formula:
C10H11N3O2S
Molecular Weight:
237.2782
IUPAC Name:
4-methyl-7-nitro-1,3,4,5-tetrahydro-1,5-benzodiazepine-2-thione
InChI:
InChI=1S/C10H11N3O2S/c1-6-4-10(16)12-8-3-2-7(13(14)15)5-9(8)11-6/h2-3,5-6,11H,4H2,1H3,(H,12,16)
InChI Key:
USSSHDKHVXEBQA-UHFFFAOYSA-N
SMILES:
CC1CC(=S)Nc2c(N1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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