5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline

C14H14ClNS — CID 2492454

IUPAC5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline
SMILESCc1ccc(Sc2ccc(Cl)cc2N)c(C)c1
InChIInChI=1S/C14H14ClNS/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(15)8-12(14)16/h3-8H,16H2,1-2H3
InChIKeyUBVXYMCCJBSXIT-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.69
Rot. Bonds2

About 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline

5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline (PubChem CID 2492454) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline
PubChem CID2492454
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline
SMILESCc1ccc(Sc2ccc(Cl)cc2N)c(C)c1
InChIInChI=1S/C14H14ClNS/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(15)8-12(14)16/h3-8H,16H2,1-2H3
InChIKeyUBVXYMCCJBSXIT-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline?
The IUPAC name of 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline (CID 2492454) is 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline.
What is the SMILES notation for 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline?
The canonical SMILES for 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline is Cc1ccc(Sc2ccc(Cl)cc2N)c(C)c1.
What is the InChIKey of 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline?
The InChIKey is UBVXYMCCJBSXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(15)8-12(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline?
5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline has a molecular weight of 263.79 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4-dimethylphenyl)sulfanylaniline is sourced from PubChem (CID 2492454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).