Basic information
- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1- InChIKey
RFLCKQQPEGZXAD-UHFFFAOYSA-N- Molecular formula
- C10H4Cl2N2O4S2
- Average molar mass
- 351.2 g/mol
- Monoisotopic mass
- 349.8989543
Names & identifiers
- Preferred name
- 5-((3,5-Dichloropyridin-4-yl)thio)-4-nitrothiophene-2-carboxylic acid
- IUPAC
- 5-[(3,5-dichloro-4-pyridinyl)sulfanyl]-4-nitrothiophene-2-carboxylic acid
Names & synonyms
SCHEMBL2680693RFLCKQQPEGZXAD-UHFFFAOYSA-N5-((3,5-dichloropyridin-4-yl)thio)-4-nitrothiophene-2-carboxylic acid5-(3,5-Dichloro-pyridin-4-ylsulfanyl)-4-nitro-thiophene-2-carboxylic acid5-[(3,5-dichloro-4-pyridyl)sulfanyl]-4-nitro-thiophene-2-carboxylic acid1247827-47-9
Database identifiers
- PubChem CID
- 60207317
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
91 records
Linked notes
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