Basic information
- CAS
3354-42-5- Standard SMILES
S=c1ssc2ccccc12- InChIKey
MIGJSZGTNIFSCC-UHFFFAOYSA-N- Molecular formula
- C7H4S3
- Average molar mass
- 184.3 g/mol
- Monoisotopic mass
- 183.94751365
Overview
structure
Names & identifiers
- Preferred name
- Dithiosulfindene
- IUPAC
- 1,2-benzodithiole-3-thione
- English name
- 3H-1,2-Benzodithiole-3-thione
- Molecular formula
- C7H4S3
- Molecular weight
- 184.3
Names & synonyms
3354-42-5DithiosulfindeneKU3ZFE8YHWNSC-111920DTXSID90187197RefChem:920526DTXCID001096883H-1,2-Benzodithiole-3-thione1,2-benzodithiole-3-thione1,2-benzodithiol-3-thioneMFCD01218799NSC111920
Show more names
NSC 111920UNII-KU3ZFE8YHWSCHEMBL3075163MIGJSZGTNIFSCC-UHFFFAOYSA-NSTK331104AKOS0054385414,5-BENZO-1,2-DITHIOLE-3-THIONE4P-022
Database identifiers
- CAS
3354-42-5- PubChem CID
- 72706
- DTXSID
DTXSID90187197- UNII
- KU3ZFE8YHW
- Nikkaji
- J80.703F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
LogP3.57
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 278.28 °C · 278.28°C (rough estimate)
- Density
- 1.4156 · 1.4156 (rough estimate)
- refractive index
- 1.541 · 1.5410 (estimate)
- FDA UNII
- 3 ZFE8YHW · KU3ZFE8YHW
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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