2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline

C14H14ClNS — CID 113458839

IUPAC2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
SMILESCc1ccc(Sc2cccc(Cl)c2N)cc1C
InChIInChI=1S/C14H14ClNS/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3
InChIKeyKQIHPLPMCMPOQP-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.69
Rot. Bonds2

About 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline

2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline (PubChem CID 113458839) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline.

Molecular Properties

Compound Name2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
PubChem CID113458839
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
SMILESCc1ccc(Sc2cccc(Cl)c2N)cc1C
InChIInChI=1S/C14H14ClNS/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3
InChIKeyKQIHPLPMCMPOQP-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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Related Compounds

2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63820479
2-chloro-6-(2-methylphenyl)sulfanylaniline
CID 104835582
methyl 2-amino-3-(3,4-dimethylphenyl)sulfanylbenzoate
CID 115547462
(1S)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 29040516
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
CID 104835593
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
(1R)-1-[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]ethanol
CID 78951858
4-(2-chlorophenyl)sulfanyl-2-methylbenzonitrile
CID 59604553
4-(3,4-dimethylphenyl)sulfanyl-3-fluoroaniline
CID 28972791
2-[4-chloro-2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 114866036
2-chloro-6-(3,4-dimethylphenoxy)aniline
CID 104834930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline?
The IUPAC name of 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline (CID 113458839) is 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline.
What is the SMILES notation for 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline?
The canonical SMILES for 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline is Cc1ccc(Sc2cccc(Cl)c2N)cc1C.
What is the InChIKey of 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline?
The InChIKey is KQIHPLPMCMPOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-9-6-7-11(8-10(9)2)17-13-5-3-4-12(15)14(13)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline?
2-chloro-6-(3,4-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 2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline is sourced from PubChem (CID 113458839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).