Basic information
- CAS
14355-12-5- Standard SMILES
CCCSC(=O)Oc1c(C(C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
MFALETYLLPRSRG-UHFFFAOYSA-N- Molecular formula
- C14H18N2O6S
- Average molar mass
- 342.37 g/mol
- Monoisotopic mass
- 342.08855747
Names & identifiers
- Preferred name
- Carbonic acid, thio-, O-(2-sec-butyl-4,6-dinitrophenyl) S-propyl ester
- IUPAC
- (2-butan-2-yl-4,6-dinitrophenyl) propylsulfanylformate
- English name
- Thiocarbonic acid O-(2-sec-butyl-4,6-dinitrophenyl)S-propyl ester
- Molecular weight
- 0
Names & synonyms
Stauffer R-1126114355-12-5ENT 27,368NSC 190964BRN 2179890R-11261O-(2-(1-Methylpropyl)-4,6-dinitrophenyl) S-propyl carbonothioateCARBONIC ACID, THIO-, O-(2-sec-BUTYL-4,6-DINITROPHENYL) S-PROPYL ESTERCarbonothioic acid, O-(2-(1-methylpropyl)-4,6-dinitrophenyl) S-propyl esterO-(2-sek.Butyl-4,6-dinitrofenyl)-S-propylester kyseliny thiouhlicite [Czech]O-(2-sek.Butyl-4,6-dinitrofenyl)-S-propylester kyseliny thiouhliciteRefChem:333451
Show more names
(2-butan-2-yl-4,6-dinitrophenyl) propylsulfanylformateThiocarbonic acid O-(2-sec-butyl-4,6-dinitrophenyl)S-propyl esterDTXSID80931944O-[2-(Butan-2-yl)-4,6-dinitrophenyl] S-propyl carbonothioate
Database identifiers
- CAS
14355-12-5- PubChem CID
- 26643
- DTXSID
DTXSID80931944- Nikkaji
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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