Basic information
- CAS
102582-86-5- Standard SMILES
O=C(O)CSc1ccccc1.OCCN(CCO)CCO- InChIKey
VHHHJXGQUPSILG-UHFFFAOYSA-N- Molecular formula
- C14H23NO5S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.12969401
Names & identifiers
- Preferred name
- Acetic acid, (phenylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-phenylsulfanylacetic acid
- English name
- 2-(bis(2-hydroxyethyl)amino)ethanol, 2-phenylsulfanylacetic acid
- Molecular formula
- C14H23NO5S
- Molecular weight
- 0
Names & synonyms
102582-86-5(Phenylthio)acetic acid triethanolamineDTXSID40145282RefChem:316351DTXCID40677732-[bis(2-hydroxyethyl)amino]ethanol;2-phenylsulfanylacetic acid(Phenylsulfanyl)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)2-(bis(2-hydroxyethyl)amino)ethanol, 2-phenylsulfanylacetic acid
Database identifiers
- CAS
102582-86-5- PubChem CID
- 59540
- DTXSID
DTXSID40145282
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 186
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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