Basic information
- CAS
7570-98-1- Standard SMILES
c1ccc(Sc2cccc3ccccc23)cc1- InChIKey
UUZCTKYYDFEULY-UHFFFAOYSA-N- Molecular formula
- C16H12S
- Average molar mass
- 236.3 g/mol
- Monoisotopic mass
- 236.06597156
Names & identifiers
- Preferred name
- 1-(Phenylthio)naphthalene
- IUPAC
- 1-phenylsulfanylnaphthalene
- English name
- Naphthalene, 1-(phenylthio)-
- Molecular formula
- C16H12S
- Molecular weight
- 236.33
Names & synonyms
1-(Phenylthio)naphthalene1-(Phenylsulfanyl)naphthalene7570-98-1Naphthalene, 1-(phenylthio)-Sulfide, 1-naphthyl phenylDTXSID00303068RefChem:74772DTXCID80254201UUZCTKYYDFEULY-UHFFFAOYSA-N1-phenylsulfanylnaphthaleneNaphthalen-1-yl(phenyl)sulfaneNSC156498
Show more names
starbld0028673Phenyl-1-naphthyl-sulfidSCHEMBL384220SCHEMBL653427SCHEMBL2890325SCHEMBL7803629SCHEMBL8564352SCHEMBL31490493
Database identifiers
- CAS
7570-98-1- PubChem CID
- 291319
- DTXSID
DTXSID00303068- Nikkaji
- J258.878A
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 40 · 40-41.5 °C
- Boiling point
- 217 · 217-222 °C(Press: 11 Torr)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司17301488900 · [email protected]
箴德化工科技(上海)有限公司18930432124 18930432124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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