1-[(4-Methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid
Basic information
- CAS
1250016-34-2- Standard SMILES
Cc1ccc(SC2(C(=O)O)CCCC2)cc1- InChIKey
KSYOENLPZJEDKZ-UHFFFAOYSA-N- Molecular formula
- C13H16O2S
- Average molar mass
- 236.33 g/mol
- Monoisotopic mass
- 236.08710092
Names & identifiers
- Preferred name
- 1-[(4-Methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid
- IUPAC
- 1-(4-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
- English name
- 1-[(4-methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid
- Molecular formula
- C13H16O2S
- Molecular weight
- 236.33
Names & synonyms
1-[(4-methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid1250016-34-21-(4-methylphenyl)sulfanylcyclopentane-1-carboxylic acidAAC01634AKOS010600367CS-02299521-(p-tolylsulfanyl)cyclopentanecarboxylic acidEN300-101729Z8035326061-[(4-methylphenyl)sulfanyl]cyclopentane-1-carboxylicacidCyclopentanecarboxylic acid, 1-[(4-methylphenyl)thio]-
Database identifiers
- CAS
1250016-34-2- PubChem CID
- 61344748
- EC Number
- 174-394-9
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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