4-chloro-2-(4-nitrophenyl)thiophene

C10H6ClNO2S — CID 139238929

IUPAC4-chloro-2-(4-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccc(-c2cc(Cl)cs2)cc1
InChIInChI=1S/C10H6ClNO2S/c11-8-5-10(15-6-8)7-1-3-9(4-2-7)12(13)14/h1-6H
InChIKeyLSNVITHPXSBDPR-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.98
Rot. Bonds2

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

4-chloro-2-(4-nitrophenyl)thiophene (PubChem CID 139238929) has the molecular formula C10H6ClNO2S and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-chloro-2-(4-nitrophenyl)thiophene.

Molecular Properties

Compound Name4-chloro-2-(4-nitrophenyl)thiophene
PubChem CID139238929
Molecular FormulaC10H6ClNO2S
Molecular Weight239.68 g/mol
Exact Mass238.98
IUPAC Name4-chloro-2-(4-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccc(-c2cc(Cl)cs2)cc1
InChIInChI=1S/C10H6ClNO2S/c11-8-5-10(15-6-8)7-1-3-9(4-2-7)12(13)14/h1-6H
InChIKeyLSNVITHPXSBDPR-UHFFFAOYSA-N
XLogP3.98
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.98
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-(4-nitrophenyl)thiophene?
The IUPAC name of 4-chloro-2-(4-nitrophenyl)thiophene (CID 139238929) is 4-chloro-2-(4-nitrophenyl)thiophene.
What is the SMILES notation for 4-chloro-2-(4-nitrophenyl)thiophene?
The canonical SMILES for 4-chloro-2-(4-nitrophenyl)thiophene is O=[N+]([O-])c1ccc(-c2cc(Cl)cs2)cc1.
What is the InChIKey of 4-chloro-2-(4-nitrophenyl)thiophene?
The InChIKey is LSNVITHPXSBDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S/c11-8-5-10(15-6-8)7-1-3-9(4-2-7)12(13)14/h1-6H.
What are the key properties of 4-chloro-2-(4-nitrophenyl)thiophene?
4-chloro-2-(4-nitrophenyl)thiophene has a molecular weight of 239.68 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-nitrophenyl)thiophene is sourced from PubChem (CID 139238929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).