Carbamodithioic acid, [(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]methyl-
Basic information
- CAS
80731-15-3- Standard SMILES
C[C@@H]([C@H](O)c1ccccc1)N(C)C(=S)S- InChIKey
XQEGKROEFQODQX-WPRPVWTQSA-N- Molecular formula
- C11H15NOS2
- Average molar mass
- 241.4 g/mol
- Monoisotopic mass
- 241.05950645
Names & identifiers
- Preferred name
- Carbamodithioic acid, [(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]methyl-
- IUPAC
- [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylcarbamodithioic acid
Names & synonyms
80731-15-3DTXSID401152678Carbamodithioic acid, [(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]methyl-[(1R,2S)-1-Hydroxy-1-phenylpropan-2-yl]methylcarbamodithioic acid
Database identifiers
- CAS
80731-15-3- PubChem CID
- 10083065
- DTXSID
DTXSID401152678
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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