2-({[(3-Chlorophenyl)carbamoyl]methyl}sulfanyl)acetic acid
Basic information
- CAS
338421-10-6- Standard SMILES
O=C(O)CSCC(=O)Nc1cccc(Cl)c1- InChIKey
GUJXESWTQMRFPW-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3S
- Average molar mass
- 259.71 g/mol
- Monoisotopic mass
- 259.006992
Names & identifiers
- Preferred name
- 2-({[(3-Chlorophenyl)carbamoyl]methyl}sulfanyl)acetic acid
- IUPAC
- 2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylacetic acid
- English name
- 2-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)acetic acid
- Molecular formula
- C10H10ClNO3S
- Molecular weight
- 259.71
Names & synonyms
338421-10-62-({[(3-CHLOROPHENYL)CARBAMOYL]METHYL}SULFANYL)ACETIC ACID2-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}acetic acid2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylacetic acidMFCD00202306Oprea1_324472CHEMBL4116445AKOS0001603274H-323SZ19691942{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}acetic acid2-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanylacetic acid
Show more names
((2-(3-CHLOROANILINO)-2-OXOETHYL)THIO)ACETIC ACID2-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)acetic acidAcetic acid, 2-[[2-[(3-chlorophenyl)amino]-2-oxoethyl]thio]-
2-({[(3-CHLOROPHENYL)CARBAMOYL]METHYL}SULFANYL)ACETICACID
Database identifiers
- CAS
338421-10-6- PubChem CID
- 853486
- ChEMBL
CHEMBL4116445- EC Number
- 114-254-6
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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