4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline

C15H17NS — CID 43436438

IUPAC4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
SMILESCc1ccc(Sc2ccc(N)c(C)c2)c(C)c1
InChIInChI=1S/C15H17NS/c1-10-4-7-15(12(3)8-10)17-13-5-6-14(16)11(2)9-13/h4-9H,16H2,1-3H3
InChIKeyNAXCMXHUGRENTO-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.35
Rot. Bonds2

About 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline

4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline (PubChem CID 43436438) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
PubChem CID43436438
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
SMILESCc1ccc(Sc2ccc(N)c(C)c2)c(C)c1
InChIInChI=1S/C15H17NS/c1-10-4-7-15(12(3)8-10)17-13-5-6-14(16)11(2)9-13/h4-9H,16H2,1-3H3
InChIKeyNAXCMXHUGRENTO-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.35
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

2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
3-(2,4-dimethylphenyl)sulfanylaniline;hydrochloride
CID 175673340
2,4-dimethylaniline;methanol
CID 70633605
2-(2,4-dimethylphenyl)sulfanyl-4-fluoroaniline
CID 62378200
2-methyl-4-(2-methylfuran-3-yl)sulfanylaniline
CID 107779582
N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
CID 63804914
2-(2,4-dimethylphenyl)sulfanyl-3,4-difluoroaniline
CID 55085738
1-[4-[4-(2,4-dimethylphenyl)sulfanylphenyl]sulfinylphenyl]sulfanyl-2,4-dimethylbenzene
CID 67240230
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-methylthiourea
CID 8679323
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline (CID 43436438) is 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline is Cc1ccc(Sc2ccc(N)c(C)c2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline?
The InChIKey is NAXCMXHUGRENTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-10-4-7-15(12(3)8-10)17-13-5-6-14(16)11(2)9-13/h4-9H,16H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline?
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline has a molecular weight of 243.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline is sourced from PubChem (CID 43436438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).