Basic information
- CAS
105892-13-5- Standard SMILES
O=C(O)CSc1ccc(Cl)cc1.OCCN1CCOC1- InChIKey
XJQIJANVRFEVNS-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO4S
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0645069
Names & identifiers
- Preferred name
- Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)
- IUPAC
- 2-(4-chlorophenyl)sulfanylacetic acid;2-(1,3-oxazolidin-3-yl)ethanol
- English name
- ((4-Chlorophenyl)thio)acetic acid 3-oxazolidineethanol (1:1)
- Molecular formula
- C8H7ClO2S.C5H11NO2
- Molecular weight
- 319.807
Names & synonyms
105892-13-5((4-Chlorophenyl)thio)acetic acid 3-oxazolidineethanol (1:1)DTXSID40147403RefChem:315976DTXCID40698942-(4-chlorophenyl)sulfanylacetic acid;2-(1,3-oxazolidin-3-yl)ethanol[(4-Chlorophenyl)sulfanyl]acetic acid--2-(1,3-oxazolidin-3-yl)ethan-1-ol (1/1)
Database identifiers
- CAS
105892-13-5- PubChem CID
- 60045
- DTXSID
DTXSID40147403
Properties
Computed structural properties
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 223
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…