Basic information
- CAS
5347-12-6- Standard SMILES
O=[N+]([O-])c1csc([N+](=O)[O-])c1- InChIKey
RZKBGZBDWAUWMC-UHFFFAOYSA-N- Molecular formula
- C4H2N2O4S
- Average molar mass
- 174.14 g/mol
- Monoisotopic mass
- 173.97352772
Names & identifiers
- Preferred name
- 2,4-Dinitrothiophene
- IUPAC
- 2,4-dinitrothiophene
- English name
- 2,4-Dinitrothiophene
- Molecular weight
- 0
Names & synonyms
2,4-DinitrothiopheneThiophene, 2,4-dinitro-5347-12-6TRK2TS4667NSC-3746DTXSID40201655RefChem:1059796DTXCID70124146NSC3746NSC 3746Thiophene,4-dinitro-BRN 0156596
Show more names
2,4-Dinitro-thiophen2,4-dinitro-thiopheneAI3-18386WLN: T5SJ BNW DNWUNII-TRK2TS4667SCHEMBL909831SCHEMBL2016370SCHEMBL9005006
Database identifiers
- CAS
5347-12-6- PubChem CID
- 79295
- DTXSID
DTXSID40201655- UNII
- TRK2TS4667
- Nikkaji
- J36.539D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 56 °C · 56°C
- Boiling point
- 291.98 °C · 291.98°C (estimate)
- Density
- 1.715 · 1.715 (estimate)
- refractive index
- 1.7 · 1.7000 (estimate)
- form
- solid
- FDA UNII
- 2 TS4667 · TRK2TS4667
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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