2-ethoxy-5-methylsulfanylaniline

C9H13NOS — CID 97035048

IUPAC2-ethoxy-5-methylsulfanylaniline
SMILESCCOc1ccc(SC)cc1N
InChIInChI=1S/C9H13NOS/c1-3-11-9-5-4-7(12-2)6-8(9)10/h4-6H,3,10H2,1-2H3
InChIKeyJNPIOEOEHGVFSE-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.39
Rot. Bonds3

About 2-ethoxy-5-methylsulfanylaniline

2-ethoxy-5-methylsulfanylaniline (PubChem CID 97035048) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-ethoxy-5-methylsulfanylaniline.

Molecular Properties

Compound Name2-ethoxy-5-methylsulfanylaniline
PubChem CID97035048
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-ethoxy-5-methylsulfanylaniline
SMILESCCOc1ccc(SC)cc1N
InChIInChI=1S/C9H13NOS/c1-3-11-9-5-4-7(12-2)6-8(9)10/h4-6H,3,10H2,1-2H3
InChIKeyJNPIOEOEHGVFSE-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.39
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
5-(difluoromethyl)-2-ethoxyaniline
CID 130524156
2-(4-amino-3-ethoxyphenyl)sulfanylethanol
CID 63676764
4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329
2-ethoxy-4-propan-2-ylsulfanylaniline
CID 63678030
3-(4-amino-3-ethoxyphenyl)sulfanylpropan-1-ol
CID 66114932
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
1-(3-amino-4-ethoxyphenyl)propan-2-one
CID 54371004
2-methoxy-5-propylsulfanylaniline
CID 97035009
2-(bromomethyl)-5-methylsulfanylaniline
CID 91881538
5-methylsulfanyl-2-(trifluoromethyl)aniline
CID 91881222
5-ethoxy-3-N-(4-methylsulfanylphenyl)benzene-1,3-diamine
CID 80722731

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methylsulfanylaniline?
The IUPAC name of 2-ethoxy-5-methylsulfanylaniline (CID 97035048) is 2-ethoxy-5-methylsulfanylaniline.
What is the SMILES notation for 2-ethoxy-5-methylsulfanylaniline?
The canonical SMILES for 2-ethoxy-5-methylsulfanylaniline is CCOc1ccc(SC)cc1N.
What is the InChIKey of 2-ethoxy-5-methylsulfanylaniline?
The InChIKey is JNPIOEOEHGVFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-11-9-5-4-7(12-2)6-8(9)10/h4-6H,3,10H2,1-2H3.
What are the key properties of 2-ethoxy-5-methylsulfanylaniline?
2-ethoxy-5-methylsulfanylaniline has a molecular weight of 183.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylsulfanylaniline is sourced from PubChem (CID 97035048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).