2-(Styrylthio)Acetic Acid
Basic information
- CAS
13435-97-7- Standard SMILES
O=C(O)CS/C=C/c1ccccc1- InChIKey
IUEVBKDVPSQVLM-UHFFFAOYSA-N- Molecular formula
- C10H10O2S
- Average molar mass
- 194.25 g/mol
- Monoisotopic mass
- 194.04015073
Overview
2-(Styrylthio)acetic acid is a member of styrenes.
Names & identifiers
- Preferred name
- 2-(Styrylthio)Acetic Acid
- IUPAC
- 2-[(E)-2-phenylethenyl]sulfanylacetic acid
- English name
- 2-(STYRYLTHIO)ACETIC ACID
- Molecular formula
- C10H10O2S
- Molecular weight
- 194.25
Names & synonyms
2-(Styrylthio)acetic acid13435-97-7RefChem:462287109-031-52-[(E)-2-phenylethenyl]sulfanylacetic acidCHEMBL127222MFCD000680782-{[(1E)-2-phenylethenyl]sulfanyl}acetic acidAcetic acid,2-[(2-phenylethenyl)thio]-orb3169998SCHEMBL3671515HMS562K02
Show more names
Compound Fr12809Acetic acid, 2-[(2-phenylethenyl)thio]-
CHEBI:195098((E)-Styrylsulfanyl)-acetic acidFr128092-[(E)-styryl]sulfanylacetic acidBDBM50288771CCG-48082SBB091776AKOS006227611
Database identifiers
- CAS
13435-97-7- PubChem CID
- 5474136
- ChEMBL
CHEMBL127222- ChEBI
CHEBI:195098- EC Number
- 109-031-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
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]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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%)
Safety data
- risk_code
- 43
- safety_code
- 36/37
Chemistry & industry
Additional notes
DefinitionChEBI: 2-(Styrylthio)acetic acid is a member of styrenes.
Suppliers
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Related reactions
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Compound notes
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