Basic information
- CAS
89-37-2- Standard SMILES
CN(C)C(=S)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
AIWZJEMZVHJAQB-UHFFFAOYSA-N- Molecular formula
- C9H9N3O4S2
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.00344812
Names & identifiers
- Preferred name
- 2,4-Dinitrophenyl dimethyldithiocarbamate
- IUPAC
- (2,4-dinitrophenyl) N,N-dimethylcarbamodithioate
Names & synonyms
89-37-22,4-Dinitrophenyl dimethyldithiocarbamateCarbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester(2,4-dinitrophenyl) N,N-dimethylcarbamodithioateYSU5XGX97FNSC-11461DTXSID0058986Carbamodithioic acid, N,N-dimethyl-, 2,4-dinitrophenyl ester4-06-00-01760 (Beilstein Handbook Reference)RefChem:82585DTXCID8048654201-902-9
Show more names
USAF SN-312,4-Dinitrophenyl-dimethyl-dithiocarbamateCARBAMIC ACID, DIMETHYLDITHIO-, 2,4-DINITROPHENYL ESTER2,4-dinitrophenyl dimethylcarbamodithioateEINECS 201-902-9NSC 11461BRN 2475355AI3-28653
Database identifiers
- CAS
89-37-2- PubChem CID
- 6967
- DTXSID
DTXSID0058986- UNII
- YSU5XGX97F
- EC Number
- 201-902-9
- Nikkaji
- J42.888D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamodithioic acid, N,N-dimethyl-, 2,4-dinitrophenyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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