1,1-Dimethylethyl dihydro-2-thioxo-2H-1,3-thiazine-3(4H)-carboxylate
Basic information
- CAS
187035-30-9- Standard SMILES
CC(C)(C)OC(=O)N1CCCSC1=S- InChIKey
QSBHMHXKSTUJBE-UHFFFAOYSA-N- Molecular formula
- C9H15NO2S2
- Average molar mass
- 233.4 g/mol
- Monoisotopic mass
- 233.05442107
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl dihydro-2-thioxo-2H-1,3-thiazine-3(4H)-carboxylate
- IUPAC
- tert-butyl 2-sulfanylidene-1,3-thiazinane-3-carboxylate
Names & synonyms
1,1-Dimethylethyl dihydro-2-thioxo-2H-1,3-thiazine-3(4H)-carboxylate187035-30-9RefChem:213938Tert-butyl 2-sulfanylidene-1,3-thiazinane-3-carboxylateDTXSID701159192
Database identifiers
- CAS
187035-30-9- PubChem CID
- 10752129
- DTXSID
DTXSID701159192
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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