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Home > Nitro Compounds > 16913-63-6
16913-63-6 | Carbamodithioic acid, dimethyl-, 4-nitrophenyl ester (9CI)
CAS No: 16913-63-6 Catalog No: AG001YIN MDL No:
Product Description
Catalog Number:
AG001YIN
Chemical Name:
Carbamodithioic acid, dimethyl-, 4-nitrophenyl ester (9CI)
CAS Number:
16913-63-6
Molecular Formula:
C9H10N2O2S2
Molecular Weight:
242.3179
IUPAC Name:
(4-nitrophenyl) N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C9H10N2O2S2/c1-10(2)9(14)15-8-5-3-7(4-6-8)11(12)13/h3-6H,1-2H3
InChI Key:
BSPPFEBCCBLHGW-UHFFFAOYSA-N
SMILES:
CN(C(=S)Sc1ccc(cc1)[N+](=O)[O-])C
EC Number:
240-962-0
NSC Number:
127879
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.311g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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