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

C14H14ClNS — CID 143960301

IUPAC2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline
SMILESCc1ccc(SNc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C14H14ClNS/c1-10-3-6-12(7-4-10)17-16-14-8-5-11(2)9-13(14)15/h3-9,16H,1-2H3
InChIKeyIAACYIXQOJJUOG-UHFFFAOYSA-N
MW263.79 g/mol
LogP5.08
Rot. Bonds3

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

2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline (PubChem CID 143960301) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline
PubChem CID143960301
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline
SMILESCc1ccc(SNc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C14H14ClNS/c1-10-3-6-12(7-4-10)17-16-14-8-5-11(2)9-13(14)15/h3-9,16H,1-2H3
InChIKeyIAACYIXQOJJUOG-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.79
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,4-dimethylaniline;formaldehyde
CID 177231502
2-chloro-4-methyl-N-propan-2-ylaniline
CID 28876969
2-chloro-4-methyl-N-pentan-3-ylaniline
CID 28967739
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
4-chloro-2-N-(2-chloro-4-methylphenyl)benzene-1,2-diamine
CID 115468574
N'-(2-chloro-4-methylphenyl)ethane-1,2-diamine
CID 82504176
N-butan-2-yl-2-chloro-4-methylaniline
CID 43122565
1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione
CID 58230223
4-bromo-2-chloro-N-methylsulfanylaniline
CID 143994558
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
2-chloro-4-methyl-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772671
1,2-dichloro-4-methylbenzene;zinc
CID 174694337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline?
The IUPAC name of 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline (CID 143960301) is 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline.
What is the SMILES notation for 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline?
The canonical SMILES for 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline is Cc1ccc(SNc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline?
The InChIKey is IAACYIXQOJJUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-10-3-6-12(7-4-10)17-16-14-8-5-11(2)9-13(14)15/h3-9,16H,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline?
2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline has a molecular weight of 263.79 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(4-methylphenyl)sulfanylaniline is sourced from PubChem (CID 143960301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).