Basic information
- CAS
14618-83-8- Standard SMILES
O=C(O)C(SC(C(=O)O)c1ccccc1)c1ccccc1- InChIKey
LUJIGLVVKMCXHP-UHFFFAOYSA-N- Molecular formula
- C16H14O4S
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.0612801
Names & identifiers
- Preferred name
- 2,2'-Sulfanediylbis(phenylacetic acid)
- IUPAC
- 2-[carboxy(phenyl)methyl]sulfanyl-2-phenylacetic acid
Names & synonyms
2,2'-Sulfanediylbis(phenylacetic acid)MLS00270420214618-83-8NSC109921CHEMBL1718401SCHEMBL14506219Benzeneacetic acid, a,a-thiobis-DTXSID20296564AKOS024341704NSC-1099213-Thiapentanedioic acid, 2,4-diphenyl-SMR001570908
Show more names
DS-010075(CARBOXY-PHENYL-METHYLSULFANYL)-PHENYL-ACETIC ACID
Database identifiers
- CAS
14618-83-8- PubChem CID
- 269264
- DTXSID
DTXSID20296564- ChEMBL
CHEMBL1718401- EC Number
- 148-445-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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