5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline

C12H12ClNOS2 — CID 130412263

IUPAC5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NSc1ccc(C)o1
InChIInChI=1S/C12H12ClNOS2/c1-8-3-6-12(15-8)17-14-10-7-9(13)4-5-11(10)16-2/h3-7,14H,1-2H3
InChIKeySBHLAXZAGZMCEW-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.08
Rot. Bonds4

About 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline

5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline (PubChem CID 130412263) has the molecular formula C12H12ClNOS2 and a molecular weight of 285.82 g/mol. Its IUPAC name is 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline
PubChem CID130412263
Molecular FormulaC12H12ClNOS2
Molecular Weight285.82 g/mol
Exact Mass285.00
IUPAC Name5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NSc1ccc(C)o1
InChIInChI=1S/C12H12ClNOS2/c1-8-3-6-12(15-8)17-14-10-7-9(13)4-5-11(10)16-2/h3-7,14H,1-2H3
InChIKeySBHLAXZAGZMCEW-UHFFFAOYSA-N
XLogP5.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline 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 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline?
The IUPAC name of 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline (CID 130412263) is 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline.
What is the SMILES notation for 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline?
The canonical SMILES for 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline is CSc1ccc(Cl)cc1NSc1ccc(C)o1.
What is the InChIKey of 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline?
The InChIKey is SBHLAXZAGZMCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS2/c1-8-3-6-12(15-8)17-14-10-7-9(13)4-5-11(10)16-2/h3-7,14H,1-2H3.
What are the key properties of 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline?
5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline has a molecular weight of 285.82 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline is sourced from PubChem (CID 130412263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).