2-amino-5-(4-ethoxyphenyl)benzenethiol

C14H15NOS — CID 139776815

IUPAC2-amino-5-(4-ethoxyphenyl)benzenethiol
SMILESCCOc1ccc(-c2ccc(N)c(S)c2)cc1
InChIInChI=1S/C14H15NOS/c1-2-16-12-6-3-10(4-7-12)11-5-8-13(15)14(17)9-11/h3-9,17H,2,15H2,1H3
InChIKeyPQFDHLCAAGQTAM-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.62
Rot. Bonds3

About 2-amino-5-(4-ethoxyphenyl)benzenethiol

2-amino-5-(4-ethoxyphenyl)benzenethiol (PubChem CID 139776815) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-amino-5-(4-ethoxyphenyl)benzenethiol.

Molecular Properties

Compound Name2-amino-5-(4-ethoxyphenyl)benzenethiol
PubChem CID139776815
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-amino-5-(4-ethoxyphenyl)benzenethiol
SMILESCCOc1ccc(-c2ccc(N)c(S)c2)cc1
InChIInChI=1S/C14H15NOS/c1-2-16-12-6-3-10(4-7-12)11-5-8-13(15)14(17)9-11/h3-9,17H,2,15H2,1H3
InChIKeyPQFDHLCAAGQTAM-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-ethoxyphenyl)aniline
CID 107607643
2-amino-5-(4-aminophenyl)benzenethiol
CID 116994217
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861
1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432
1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
CID 20716256
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
4-(4-ethoxyphenyl)-N-methylaniline
CID 83643476
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903
4-(4-ethoxyphenyl)benzamide
CID 163572533

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethoxyphenyl)benzenethiol?
The IUPAC name of 2-amino-5-(4-ethoxyphenyl)benzenethiol (CID 139776815) is 2-amino-5-(4-ethoxyphenyl)benzenethiol.
What is the SMILES notation for 2-amino-5-(4-ethoxyphenyl)benzenethiol?
The canonical SMILES for 2-amino-5-(4-ethoxyphenyl)benzenethiol is CCOc1ccc(-c2ccc(N)c(S)c2)cc1.
What is the InChIKey of 2-amino-5-(4-ethoxyphenyl)benzenethiol?
The InChIKey is PQFDHLCAAGQTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-2-16-12-6-3-10(4-7-12)11-5-8-13(15)14(17)9-11/h3-9,17H,2,15H2,1H3.
What are the key properties of 2-amino-5-(4-ethoxyphenyl)benzenethiol?
2-amino-5-(4-ethoxyphenyl)benzenethiol has a molecular weight of 245.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-ethoxyphenyl)benzenethiol is sourced from PubChem (CID 139776815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).