Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester
Basic information
- CAS
6074-15-3- Standard SMILES
CCSC(=O)Oc1c(C(C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
QKKGMEKXCCXHKQ-UHFFFAOYSA-N- Molecular formula
- C13H16N2O6S
- Average molar mass
- 328.34 g/mol
- Monoisotopic mass
- 328.07290741
Names & identifiers
- Preferred name
- Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester
- IUPAC
- (2-butan-2-yl-4,6-dinitrophenyl) ethylsulfanylformate
- English name
- Thiocarbonic acid O-(2-sec-butyl-4,6-dinitrophenyl)S-ethyl ester
- Molecular formula
- C13H16N2O6S
- Molecular weight
- 328.34
Names & synonyms
Stauffer R-112606074-15-3ENT 27,367NSC 190963BRN 2176836R-11260S-Ethyl O-(2-(1-methylpropyl)-4,6-dinitrophenyl) carbonothioateCARBONIC ACID, THIO-, O-(2-sec-BUTYL-4,6-DINITROPHENYL) S-ETHYL ESTERCarbonothioic acid, S-ethyl O-(2-(1-methylpropyl)-4,6-dinitrophenyl) esterO-(2-sek.Butyl-4,6-dinitrofenyl)-S-ethylester kyseliny thiouhlicite [Czech]O-(2-sek.Butyl-4,6-dinitrofenyl)-S-ethylester kyseliny thiouhliciteRefChem:333450
Show more names
ENT-27367NSC-190963Thiocarbonic acid O-(2-sec-butyl-4,6-dinitrophenyl)S-ethyl esterCarbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-ethyl ester (7CI,8CI)
DTXSID20976213O-[2-(Butan-2-yl)-4,6-dinitrophenyl] S-ethyl carbonothioate
Database identifiers
- CAS
6074-15-3- PubChem CID
- 22452
- DTXSID
DTXSID20976213- Nikkaji
- J33.962H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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