5-((3,5-Dichloropyridin-4-yl)thio)-4-nitrothiophene-2-carboxylic acid

HCID 60207317

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

Related reactions

91 records

Linked notes

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