4-(Heptylsulfanyl)benzoic acid
Basic information
- CAS
32910-58-0- Standard SMILES
CCCCCCCSc1ccc(C(=O)O)cc1- InChIKey
LFIZZGOLWFBCNM-UHFFFAOYSA-N- Molecular formula
- C14H20O2S
- Average molar mass
- 252.37 g/mol
- Monoisotopic mass
- 252.11840105
Names & identifiers
- Preferred name
- 4-(Heptylsulfanyl)benzoic acid
- IUPAC
- 4-heptylsulfanylbenzoic acid
- English name
- 4-(heptylthio)benzoic acid
- Molecular formula
- C14H20O2S
- Molecular weight
- 252.37
Names & synonyms
4-(heptylsulfanyl)benzoic acid32910-58-04-heptylsulfanylbenzoic acid4-(heptylthio)Benzoic acidNSC1384094-(heptylthio)BenzoicacidDTXSID90300703HBA91058AKOS009263145NSC-138409DA-22198CS-0231211
Show more names
Benzoic acid, 4-(heptylthio)-
EN300-1074171Z362810752
Database identifiers
- CAS
32910-58-0- PubChem CID
- 283547
- DTXSID
DTXSID90300703- Nikkaji
- J3.680.101H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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