Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-
Basic information
- CAS
7343-61-5- Standard SMILES
O=[N+]([O-])c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1- InChIKey
DLJPDAHCABYQTO-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4S
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.03612798
Names & identifiers
- Preferred name
- Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-
- IUPAC
- 1-benzylsulfanyl-2,4-dinitrobenzene
- English name
- 2,4-Dinitro-1-[(phenylmethyl)thio]benzene
- Molecular formula
- C13H10N2O4S
- Molecular weight
- 290.3
Names & synonyms
Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]-AI3-62594DTXSID4064636Benzene, 2,4-dinitro-1-((phenylmethyl)thio)-RefChem:562550DTXCID90475447343-61-51-(Benzylsulfanyl)-2,4-dinitrobenzenebenzyl 2,4-dinitrophenyl sulfide2,4-Dinitrobenzenethiol, S-benzyl-AKOS0010256042,4-dinitro-1-(phenylmethylthio)benzene
Show more names
2,4-Dinitro-1-[(phenylmethyl)thio]benzene
1-(Benzylsulfanyl)-2,4-dinitrobenzene #ST50101266SR-01000025197SR-01000025197-1Z31249455
Database identifiers
- CAS
7343-61-5- PubChem CID
- 81799
- DTXSID
DTXSID4064636- Nikkaji
- J421.852C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzene, 2,4-dinitro-1-[(phenylmethyl)thio]- (7343-61-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 2,4-dinitro-1-[(phenylmethyl)thio]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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