2-ethoxy-4-propan-2-ylsulfanylaniline

C11H17NOS — CID 63678030

IUPAC2-ethoxy-4-propan-2-ylsulfanylaniline
SMILESCCOc1cc(SC(C)C)ccc1N
InChIInChI=1S/C11H17NOS/c1-4-13-11-7-9(14-8(2)3)5-6-10(11)12/h5-8H,4,12H2,1-3H3
InChIKeyAKBAIXUXPLSUJW-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.17
Rot. Bonds4

About 2-ethoxy-4-propan-2-ylsulfanylaniline

2-ethoxy-4-propan-2-ylsulfanylaniline (PubChem CID 63678030) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-ethoxy-4-propan-2-ylsulfanylaniline.

Molecular Properties

Compound Name2-ethoxy-4-propan-2-ylsulfanylaniline
PubChem CID63678030
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-ethoxy-4-propan-2-ylsulfanylaniline
SMILESCCOc1cc(SC(C)C)ccc1N
InChIInChI=1S/C11H17NOS/c1-4-13-11-7-9(14-8(2)3)5-6-10(11)12/h5-8H,4,12H2,1-3H3
InChIKeyAKBAIXUXPLSUJW-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-propylsulfanylaniline
CID 63677395
2-(4-amino-3-ethoxyphenyl)sulfanylethanol
CID 63676764
2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616
2-ethoxy-4-naphthalen-2-ylsulfanylaniline
CID 63676558
4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline
CID 63676554
4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
CID 63675968
3-(4-amino-3-ethoxyphenyl)sulfanylpropan-1-ol
CID 66114932
4-cyclopentylsulfanyl-2-ethoxyaniline
CID 63677184
4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
CID 63677822
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
2-ethoxy-4-pyrimidin-4-ylsulfanylaniline
CID 63696377

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-propan-2-ylsulfanylaniline?
The IUPAC name of 2-ethoxy-4-propan-2-ylsulfanylaniline (CID 63678030) is 2-ethoxy-4-propan-2-ylsulfanylaniline.
What is the SMILES notation for 2-ethoxy-4-propan-2-ylsulfanylaniline?
The canonical SMILES for 2-ethoxy-4-propan-2-ylsulfanylaniline is CCOc1cc(SC(C)C)ccc1N.
What is the InChIKey of 2-ethoxy-4-propan-2-ylsulfanylaniline?
The InChIKey is AKBAIXUXPLSUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-13-11-7-9(14-8(2)3)5-6-10(11)12/h5-8H,4,12H2,1-3H3.
What are the key properties of 2-ethoxy-4-propan-2-ylsulfanylaniline?
2-ethoxy-4-propan-2-ylsulfanylaniline has a molecular weight of 211.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-propan-2-ylsulfanylaniline is sourced from PubChem (CID 63678030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).