Basic information
- CAS
653602-02-9- Standard SMILES
ClCSc1cccc2ccccc12- InChIKey
ATSYOCIEYQWGNT-UHFFFAOYSA-N- Molecular formula
- C11H9ClS
- Average molar mass
- 208.71 g/mol
- Monoisotopic mass
- 208.0113492
Names & identifiers
- Preferred name
- Naphthalene, 1-[(chloromethyl)thio]-
- IUPAC
- 1-(chloromethylsulfanyl)naphthalene
Names & synonyms
Naphthalene, 1-[(chloromethyl)thio]-653602-02-91-[(CHLOROMETHYL)SULFANYL]NAPHTHALENEDTXSID60478029
Database identifiers
- CAS
653602-02-9- PubChem CID
- 12123771
- DTXSID
DTXSID60478029- Nikkaji
- J2.204.175D
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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