4-(2-ethylanilino)benzenethiol

C14H15NS — CID 166755248

IUPAC4-(2-ethylanilino)benzenethiol
SMILESCCc1ccccc1Nc1ccc(S)cc1
InChIInChI=1S/C14H15NS/c1-2-11-5-3-4-6-14(11)15-12-7-9-13(16)10-8-12/h3-10,15-16H,2H2,1H3
InChIKeySZJYNRPDDWRMBP-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.28
Rot. Bonds3

About 4-(2-ethylanilino)benzenethiol

4-(2-ethylanilino)benzenethiol (PubChem CID 166755248) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(2-ethylanilino)benzenethiol.

Molecular Properties

Compound Name4-(2-ethylanilino)benzenethiol
PubChem CID166755248
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name4-(2-ethylanilino)benzenethiol
SMILESCCc1ccccc1Nc1ccc(S)cc1
InChIInChI=1S/C14H15NS/c1-2-11-5-3-4-6-14(11)15-12-7-9-13(16)10-8-12/h3-10,15-16H,2H2,1H3
InChIKeySZJYNRPDDWRMBP-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 155386748
N-(2-ethylphenyl)-1-methylpyrazol-4-amine
CID 125450471
4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
CID 82236252
N-(2-ethylphenyl)-1H-pyrazol-4-amine
CID 125449698
5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532392
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
2-ethyl-N-[3-(trifluoromethyl)phenyl]aniline
CID 142875759
2-(aminomethyl)-N-(4-ethylsulfonylphenyl)aniline
CID 63759186
2-ethyl-N-[(Z)-propylideneamino]aniline
CID 144945326
4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865366
4-N-(2-ethylphenyl)-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928565

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)benzenethiol?
The IUPAC name of 4-(2-ethylanilino)benzenethiol (CID 166755248) is 4-(2-ethylanilino)benzenethiol.
What is the SMILES notation for 4-(2-ethylanilino)benzenethiol?
The canonical SMILES for 4-(2-ethylanilino)benzenethiol is CCc1ccccc1Nc1ccc(S)cc1.
What is the InChIKey of 4-(2-ethylanilino)benzenethiol?
The InChIKey is SZJYNRPDDWRMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-11-5-3-4-6-14(11)15-12-7-9-13(16)10-8-12/h3-10,15-16H,2H2,1H3.
What are the key properties of 4-(2-ethylanilino)benzenethiol?
4-(2-ethylanilino)benzenethiol has a molecular weight of 229.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)benzenethiol is sourced from PubChem (CID 166755248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).