4-(2-ethoxyphenyl)sulfanylaniline

C14H15NOS — CID 70586247

IUPAC4-(2-ethoxyphenyl)sulfanylaniline
SMILESCCOc1ccccc1Sc1ccc(N)cc1
InChIInChI=1S/C14H15NOS/c1-2-16-13-5-3-4-6-14(13)17-12-9-7-11(15)8-10-12/h3-10H,2,15H2,1H3
InChIKeyVOYMOADIQSYHFB-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.82
Rot. Bonds4

About 4-(2-ethoxyphenyl)sulfanylaniline

4-(2-ethoxyphenyl)sulfanylaniline (PubChem CID 70586247) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)sulfanylaniline.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)sulfanylaniline
PubChem CID70586247
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(2-ethoxyphenyl)sulfanylaniline
SMILESCCOc1ccccc1Sc1ccc(N)cc1
InChIInChI=1S/C14H15NOS/c1-2-16-13-5-3-4-6-14(13)17-12-9-7-11(15)8-10-12/h3-10H,2,15H2,1H3
InChIKeyVOYMOADIQSYHFB-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.82
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-(2-methylphenyl)sulfanylaniline
CID 63677616
1-ethoxy-2-phenylsulfanyl-4-propan-2-ylbenzene
CID 15758335
2-[4-(4-aminophenyl)sulfanylphenyl]sulfanylaniline
CID 142730597
4-[2-[3-(diethylamino)propoxy]phenyl]sulfanylbenzene-1,2-diamine
CID 21451705
4-[(6-ethoxy-2-pyridinyl)sulfanyl]aniline
CID 63589015
bis[2-(4-aminophenyl)sulfanylphenyl]methanone
CID 67895042
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
3-ethoxy-5-phenylsulfanylaniline
CID 80737383
ethoxy-[3-ethoxy-4-(4-phenylphenyl)sulfanylphenyl]-phenyl-(4-phenylphenyl)-λ4-sulfane
CID 130405240
2-ethoxyaniline;molecular hydrogen
CID 144877970
2-[(2-ethoxyphenyl)methylsulfanyl]-5-fluoroaniline
CID 43303935
4-(2,4-difluorophenyl)sulfanyl-2-ethoxyaniline
CID 63675968

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)sulfanylaniline?
The IUPAC name of 4-(2-ethoxyphenyl)sulfanylaniline (CID 70586247) is 4-(2-ethoxyphenyl)sulfanylaniline.
What is the SMILES notation for 4-(2-ethoxyphenyl)sulfanylaniline?
The canonical SMILES for 4-(2-ethoxyphenyl)sulfanylaniline is CCOc1ccccc1Sc1ccc(N)cc1.
What is the InChIKey of 4-(2-ethoxyphenyl)sulfanylaniline?
The InChIKey is VOYMOADIQSYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-16-13-5-3-4-6-14(13)17-12-9-7-11(15)8-10-12/h3-10H,2,15H2,1H3.
What are the key properties of 4-(2-ethoxyphenyl)sulfanylaniline?
4-(2-ethoxyphenyl)sulfanylaniline has a molecular weight of 245.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)sulfanylaniline is sourced from PubChem (CID 70586247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).