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Home > Nitro Compounds > 89-37-2
89-37-2 | 2,4-dinitrophenyl dimethylcarbamodithioate
CAS No: 89-37-2 Catalog No: AG003YVT MDL No:
Product Description
Catalog Number:
AG003YVT
Chemical Name:
2,4-dinitrophenyl dimethylcarbamodithioate
CAS Number:
89-37-2
Molecular Formula:
C9H9N3O4S2
Molecular Weight:
287.3155
IUPAC Name:
(2,4-dinitrophenyl) N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C9H9N3O4S2/c1-10(2)9(17)18-8-4-3-6(11(13)14)5-7(8)12(15)16/h3-5H,1-2H3
InChI Key:
AIWZJEMZVHJAQB-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
201-902-9
NSC Number:
11461
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.308g/mol
Monoisotopic Mass:
287.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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