2-(4-chlorophenyl)sulfanyl-4-nitrothiophene

C10H6ClNO2S2 — CID 71388246

IUPAC2-(4-chlorophenyl)sulfanyl-4-nitrothiophene
SMILESO=[N+]([O-])c1csc(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C10H6ClNO2S2/c11-7-1-3-9(4-2-7)16-10-5-8(6-15-10)12(13)14/h1-6H
InChIKeyBTUQIABPOKMWEQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.46
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene

2-(4-chlorophenyl)sulfanyl-4-nitrothiophene (PubChem CID 71388246) has the molecular formula C10H6ClNO2S2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-4-nitrothiophene
PubChem CID71388246
Molecular FormulaC10H6ClNO2S2
Molecular Weight271.75 g/mol
Exact Mass270.95
IUPAC Name2-(4-chlorophenyl)sulfanyl-4-nitrothiophene
SMILESO=[N+]([O-])c1csc(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C10H6ClNO2S2/c11-7-1-3-9(4-2-7)16-10-5-8(6-15-10)12(13)14/h1-6H
InChIKeyBTUQIABPOKMWEQ-UHFFFAOYSA-N
XLogP4.46
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene (CID 71388246) is 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene is O=[N+]([O-])c1csc(Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene?
The InChIKey is BTUQIABPOKMWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S2/c11-7-1-3-9(4-2-7)16-10-5-8(6-15-10)12(13)14/h1-6H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene?
2-(4-chlorophenyl)sulfanyl-4-nitrothiophene has a molecular weight of 271.75 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-4-nitrothiophene is sourced from PubChem (CID 71388246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).