S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate
Basic information
- CAS
58058-58-5- Standard SMILES
CC(C)(C)SC(=O)C1(C(O)c2ccccc2)CC1- InChIKey
XRIHBMLOMVKELR-UHFFFAOYSA-N- Molecular formula
- C15H20O2S
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.11840105
Names & identifiers
- Preferred name
- S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate
- IUPAC
- S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioate
Names & synonyms
58058-58-5NSC259928S-tert-butyl 1-[hydroxy(phenyl)methyl]cyclopropane-1-carbothioateDTXSID10312646XRIHBMLOMVKELR-UHFFFAOYSA-NNSC-259928DS-007876[1-(hydroxy-phenyl-methyl)cyclopropyl]-tert-butylsulfanyl-methanone1-(Hydroxyphenylmethyl)cyclopropanecarbothioic acid, S-t-butyl esterS-(tert-Butyl) 1-[hydroxy(phenyl)methyl]cyclopropanecarbothioate #
Database identifiers
- CAS
58058-58-5- PubChem CID
- 318933
- DTXSID
DTXSID10312646
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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