4-(4-Methylphenyl)dithiole-3-thione
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Basic information
- CAS
3467-29-6- Standard SMILES
Cc1ccc(-c2cssc2=S)cc1- InChIKey
WZSFCQCPPNROON-UHFFFAOYSA-N- Molecular formula
- C10H8S3
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 223.97881378
Names & identifiers
- Preferred name
- 4-(4-Methylphenyl)dithiole-3-thione
- IUPAC
- 4-(4-methylphenyl)dithiole-3-thione
- English name
- 4-(4-methylphenyl)dithiole-3-thione
- Molecular formula
- C10H8S3
- Molecular weight
- 224.37
Names & synonyms
NSC404673467-29-6MLS0007370184-(4-methylphenyl)dithiole-3-thione4-(4-methylphenyl)-3H-1,2-dithiole-3-thione4-(p-tolyl)dithiole-3-thioneSCHEMBL8467822CHEMBL4296989WZSFCQCPPNROON-UHFFFAOYSA-DTXSID002850974-p-tolyl-1,2-dithiol-3-thioneNSC-40467
Show more names
SMR0003939743H-1,2-Dithiole-3-thione, 4-(4-methylphenyl)-InChI=1/C10H8S3/c1-7-2-4-8(5-3-7)9-6-12-13-10(9)11/h2-6H,1H3
Database identifiers
- CAS
3467-29-6- PubChem CID
- 237172
- DTXSID
DTXSID00285097- ChEMBL
CHEMBL4296989- Nikkaji
- J687.655B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
LogP3.73
Physicochemical properties
- Melting point
- 122.5 · 122.5-123.0 °C
- Boiling point
- 375.7 · 375.7±52.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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