Basic information
- CAS
10075-73-7- Standard SMILES
CSc1ccc(SC)c2ccccc12- InChIKey
ZYYGYYVWYHXYOF-UHFFFAOYSA-N- Molecular formula
- C12H12S2
- Average molar mass
- 220.4 g/mol
- Monoisotopic mass
- 220.03804273
Names & identifiers
- Preferred name
- Naphthalene, 1,4-bis(methylthio)-
- IUPAC
- 1,4-bis(methylsulfanyl)naphthalene
- English name
- 1,4-Bis(methylthio)naphthalene
- Molecular formula
- C12H12S2
- Molecular weight
- 220.35
Names & synonyms
1,4-bis(methylthio)naphthalene1,4-Bis(methylsulfanyl)naphthaleneNaphthalene, 1,4-bis(methylthio)-10075-73-7DTXSID20143488ZYYGYYVWYHXYOF-UHFFFAOYSA-NMFCD004650831,4-Bis(methylsulfanyl)naphthalene #
Database identifiers
- CAS
10075-73-7- PubChem CID
- 139089
- DTXSID
DTXSID20143488- Nikkaji
- J102.749B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 95 °C · 95 °C
- Boiling point
- 372.1 · 372.1±25.0 °C(Predicted)
- 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
- 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
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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