4-chloro-2-(2-nitroethenyl)thiophene

C6H4ClNO2S — CID 67005988

IUPAC4-chloro-2-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1cc(Cl)cs1
InChIInChI=1S/C6H4ClNO2S/c7-5-3-6(11-4-5)1-2-8(9)10/h1-4H
InChIKeyATCYSHWVWDXYHD-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.65
Rot. Bonds2

About 4-chloro-2-(2-nitroethenyl)thiophene

4-chloro-2-(2-nitroethenyl)thiophene (PubChem CID 67005988) has the molecular formula C6H4ClNO2S and a molecular weight of 189.62 g/mol. Its IUPAC name is 4-chloro-2-(2-nitroethenyl)thiophene.

Molecular Properties

Compound Name4-chloro-2-(2-nitroethenyl)thiophene
PubChem CID67005988
Molecular FormulaC6H4ClNO2S
Molecular Weight189.62 g/mol
Exact Mass188.97
IUPAC Name4-chloro-2-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1cc(Cl)cs1
InChIInChI=1S/C6H4ClNO2S/c7-5-3-6(11-4-5)1-2-8(9)10/h1-4H
InChIKeyATCYSHWVWDXYHD-UHFFFAOYSA-N
XLogP2.65
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-nitroethenyl)thiophene?
The IUPAC name of 4-chloro-2-(2-nitroethenyl)thiophene (CID 67005988) is 4-chloro-2-(2-nitroethenyl)thiophene.
What is the SMILES notation for 4-chloro-2-(2-nitroethenyl)thiophene?
The canonical SMILES for 4-chloro-2-(2-nitroethenyl)thiophene is O=[N+]([O-])C=Cc1cc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(2-nitroethenyl)thiophene?
The InChIKey is ATCYSHWVWDXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2S/c7-5-3-6(11-4-5)1-2-8(9)10/h1-4H.
What are the key properties of 4-chloro-2-(2-nitroethenyl)thiophene?
4-chloro-2-(2-nitroethenyl)thiophene has a molecular weight of 189.62 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-nitroethenyl)thiophene is sourced from PubChem (CID 67005988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).