2-[[(1,1-Dimethylethyl)thio]thioxomethoxy]acetic acid
Basic information
- CAS
82979-46-2- Standard SMILES
CC(C)(C)SC(=S)OCC(=O)O- InChIKey
DQMXCJQHFDXQJH-UHFFFAOYSA-N- Molecular formula
- C7H12O3S2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.02278659
Names & identifiers
- Preferred name
- 2-[[(1,1-Dimethylethyl)thio]thioxomethoxy]acetic acid
- IUPAC
- 2-tert-butylsulfanylcarbothioyloxyacetic acid
Names & synonyms
2-[[(1,1-Dimethylethyl)thio]thioxomethoxy]acetic acid82979-46-22-(((1,1-Dimethylethyl)thio)thioxomethoxy)acetic acidRefChem:249025DTXSID301216546{[(tert-Butylsulfanyl)carbonothioyl]oxy}acetic acid
Database identifiers
- CAS
82979-46-2- PubChem CID
- 12815313
- DTXSID
DTXSID301216546
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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