Basic information
- CAS
60948-99-4- Standard SMILES
SCc1cccc2cccc(CS)c12- InChIKey
JKNPWHHGFOPCTJ-UHFFFAOYSA-N- Molecular formula
- C12H12S2
- Average molar mass
- 220.4 g/mol
- Monoisotopic mass
- 220.03804273
Names & identifiers
- Preferred name
- Naphthalene, 1,8-mercaptomethyl-
- IUPAC
- [8-(sulfanylmethyl)naphthalen-1-yl]methanethiol
Names & synonyms
60948-99-4Naphthalene, 1,8-mercaptomethyl-naphthalene-1,8-diyldimethanethiolNaphthalene,1,8-mercaptomethylSCHEMBL8220271DTXSID402097771,8-bis(sulfanyl-methyl)naphthalene(Naphthalene-1,8-diyl)dimethanethiol
Database identifiers
- CAS
60948-99-4- PubChem CID
- 143751
- DTXSID
DTXSID40209777- Nikkaji
- J1.424.001B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…