4-chloro-2-(2-methylphenyl)sulfanylaniline

C13H12ClNS — CID 115469527

IUPAC4-chloro-2-(2-methylphenyl)sulfanylaniline
SMILESCc1ccccc1Sc1cc(Cl)ccc1N
InChIInChI=1S/C13H12ClNS/c1-9-4-2-3-5-12(9)16-13-8-10(14)6-7-11(13)15/h2-8H,15H2,1H3
InChIKeyWGOKEXYHCCONFP-UHFFFAOYSA-N
MW249.77 g/mol
LogP4.38
Rot. Bonds2

About 4-chloro-2-(2-methylphenyl)sulfanylaniline

4-chloro-2-(2-methylphenyl)sulfanylaniline (PubChem CID 115469527) has the molecular formula C13H12ClNS and a molecular weight of 249.77 g/mol. Its IUPAC name is 4-chloro-2-(2-methylphenyl)sulfanylaniline.

Molecular Properties

Compound Name4-chloro-2-(2-methylphenyl)sulfanylaniline
PubChem CID115469527
Molecular FormulaC13H12ClNS
Molecular Weight249.77 g/mol
Exact Mass249.04
IUPAC Name4-chloro-2-(2-methylphenyl)sulfanylaniline
SMILESCc1ccccc1Sc1cc(Cl)ccc1N
InChIInChI=1S/C13H12ClNS/c1-9-4-2-3-5-12(9)16-13-8-10(14)6-7-11(13)15/h2-8H,15H2,1H3
InChIKeyWGOKEXYHCCONFP-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.77
LogP ≤ 54.38
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-bromophenyl)sulfanyl-4-chloroaniline
CID 115469523
4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline
CID 107779579
2-chloro-6-(2-methylphenyl)sulfanylaniline
CID 104835582
4-chloro-2-(1-phenylethylsulfanyl)aniline
CID 79528407
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
2-(2-aminophenyl)sulfanyl-4-chlorobenzonitrile
CID 63082288
2-(2-methylphenyl)sulfanyl-5-nitroaniline
CID 55080116
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501
4-chloro-2-(3,4-difluorophenyl)sulfanylaniline
CID 113315968
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
3-chloro-4-(4-chloro-2-methylphenyl)sulfanylaniline
CID 10221452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylphenyl)sulfanylaniline?
The IUPAC name of 4-chloro-2-(2-methylphenyl)sulfanylaniline (CID 115469527) is 4-chloro-2-(2-methylphenyl)sulfanylaniline.
What is the SMILES notation for 4-chloro-2-(2-methylphenyl)sulfanylaniline?
The canonical SMILES for 4-chloro-2-(2-methylphenyl)sulfanylaniline is Cc1ccccc1Sc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2-methylphenyl)sulfanylaniline?
The InChIKey is WGOKEXYHCCONFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNS/c1-9-4-2-3-5-12(9)16-13-8-10(14)6-7-11(13)15/h2-8H,15H2,1H3.
What are the key properties of 4-chloro-2-(2-methylphenyl)sulfanylaniline?
4-chloro-2-(2-methylphenyl)sulfanylaniline has a molecular weight of 249.77 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylphenyl)sulfanylaniline is sourced from PubChem (CID 115469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).