Basic information
- CAS
64059-42-3- Standard SMILES
O=C(O)CSc1cccc2cccc(CCl)c12- InChIKey
WKKHPDZWSPRFHX-UHFFFAOYSA-N- Molecular formula
- C13H11ClO2S
- Average molar mass
- 266.74 g/mol
- Monoisotopic mass
- 266.0168285
Names & identifiers
- Preferred name
- Acetic acid, 2-(8-chloromethyl-1-naphthylthio)-
- IUPAC
- 2-[8-(chloromethyl)naphthalen-1-yl]sulfanylacetic acid
- English name
- 2-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acid
- Molecular weight
- 0
Names & synonyms
64059-42-32-(8-Chloromethyl-1-naphthylthio)acetic acidACETIC ACID, 2-(8-CHLOROMETHYL-1-NAPHTHYLTHIO)-Kyselina S-(8-chlormethyl-1-naftyl)thioglykolova [Czech]DTXSID50214251Kyselina S-(8-chlormethyl-1-naftyl)thioglykolovaRefChem:316480DTXCID501367422-[(8-Chloromethylnaphthalen-1-yl)thio]acetic acidDB-302631{[8-(chloromethyl)naphthalen-1-yl]sulfanyl}acetic acid
Database identifiers
- CAS
64059-42-3- PubChem CID
- 47244
- DTXSID
DTXSID50214251- Nikkaji
- J85.220A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Density
- 1.2939 · 1.2939 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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