2-ethylsulfanyl-4,5-dimethoxyaniline

C10H15NO2S — CID 12694267

IUPAC2-ethylsulfanyl-4,5-dimethoxyaniline
SMILESCCSc1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H15NO2S/c1-4-14-10-6-9(13-3)8(12-2)5-7(10)11/h5-6H,4,11H2,1-3H3
InChIKeyTZSYHJBPGOIJDO-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.40
Rot. Bonds4

About 2-ethylsulfanyl-4,5-dimethoxyaniline

2-ethylsulfanyl-4,5-dimethoxyaniline (PubChem CID 12694267) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-ethylsulfanyl-4,5-dimethoxyaniline
PubChem CID12694267
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-ethylsulfanyl-4,5-dimethoxyaniline
SMILESCCSc1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H15NO2S/c1-4-14-10-6-9(13-3)8(12-2)5-7(10)11/h5-6H,4,11H2,1-3H3
InChIKeyTZSYHJBPGOIJDO-UHFFFAOYSA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethylsulfanyl)-4,5-dimethoxyaniline
CID 145180994
2-tert-butylsulfanyl-4,5-dimethoxyaniline
CID 83008107
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
2-ethylsulfanyl-4,5-difluoroaniline
CID 130536650
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
CID 134890786
CID 134890786
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4,5-dimethoxyaniline
CID 83008111
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4,5-dimethoxyaniline
CID 83008590
5-fluoro-2-methoxy-4-propylsulfanylaniline
CID 107260157
4-bromo-2-ethylsulfanyl-5-fluoroaniline
CID 116736796
2-(1-aminobutyl)-4,5-dimethoxyaniline
CID 82552842
4-[2-(diethylamino)ethylsulfanyl]-5-fluoro-2-methoxyaniline
CID 107260210

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4,5-dimethoxyaniline?
The IUPAC name of 2-ethylsulfanyl-4,5-dimethoxyaniline (CID 12694267) is 2-ethylsulfanyl-4,5-dimethoxyaniline.
What is the SMILES notation for 2-ethylsulfanyl-4,5-dimethoxyaniline?
The canonical SMILES for 2-ethylsulfanyl-4,5-dimethoxyaniline is CCSc1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-ethylsulfanyl-4,5-dimethoxyaniline?
The InChIKey is TZSYHJBPGOIJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-14-10-6-9(13-3)8(12-2)5-7(10)11/h5-6H,4,11H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-4,5-dimethoxyaniline?
2-ethylsulfanyl-4,5-dimethoxyaniline has a molecular weight of 213.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4,5-dimethoxyaniline is sourced from PubChem (CID 12694267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).