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Home > Nitro Compounds > 116013-80-0
116013-80-0 | 2-Thiazolidinethione, 4-methyl-3-(3-nitrophenyl)-
CAS No: 116013-80-0 Catalog No: AG000BE0 MDL No:
Product Description
Catalog Number:
AG000BE0
Chemical Name:
2-Thiazolidinethione, 4-methyl-3-(3-nitrophenyl)-
CAS Number:
116013-80-0
Molecular Formula:
C10H10N2O2S2
Molecular Weight:
254.3286
IUPAC Name:
4-methyl-3-(3-nitrophenyl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C10H10N2O2S2/c1-7-6-16-10(15)11(7)8-3-2-4-9(5-8)12(13)14/h2-5,7H,6H2,1H3
InChI Key:
CNGJAGYKUNGGDM-UHFFFAOYSA-N
SMILES:
CC1CSC(=S)N1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.322g/mol
Monoisotopic Mass:
254.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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