Acetic acid, ((p-chlorophenyl)thio)-, compd. with 2-aminoethanol (1:1)
Basic information
- CAS
87298-91-7- Standard SMILES
NCCO.O=C(O)CSc1ccc(Cl)cc1- InChIKey
OOMYBFAHSCQINQ-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO3S
- Average molar mass
- 263.74 g/mol
- Monoisotopic mass
- 263.0382922
Names & identifiers
- Preferred name
- Acetic acid, ((p-chlorophenyl)thio)-, compd. with 2-aminoethanol (1:1)
- IUPAC
- 2-aminoethanol;2-(4-chlorophenyl)sulfanylacetic acid
Names & synonyms
((p-Chlorophenyl)thio)acetic acid 2-aminoethanol salt87298-91-7DTXSID00236261RefChem:316090DTXCID00158752AKOS003290664[(4-Chlorophenyl)sulfanyl]acetic acid--2-aminoethan-1-ol (1/1)
Database identifiers
- CAS
87298-91-7- PubChem CID
- 55677
- DTXSID
DTXSID00236261
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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