Basic information
- CAS
90619-17-3- Standard SMILES
CC(C)CCOC(=S)SCC(=O)N1C(=O)COc2ccccc21- InChIKey
JXEYFWZIYNTERZ-UHFFFAOYSA-N- Molecular formula
- C16H19NO4S2
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.07555043
Names & identifiers
- Preferred name
- Carbonodithioic acid, S-(2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl) O-(3-methylbutyl) ester
- IUPAC
- O-(3-methylbutyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate
Names & synonyms
90619-17-3Carbonodithioic acid, S-(2-(2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-2-oxoethyl) O-(3-methylbutyl) esterDTXSID60238221RefChem:333531DTXCID80160712O-(3-methylbutyl) S-[2-oxo-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl] carbonodithioate
Database identifiers
- CAS
90619-17-3- PubChem CID
- 56083
- DTXSID
DTXSID60238221
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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