2-(4-aminophenyl)sulfanyl-1-phenylethanol

C14H15NOS — CID 51062435

IUPAC2-(4-aminophenyl)sulfanyl-1-phenylethanol
SMILESNc1ccc(SCC(O)c2ccccc2)cc1
InChIInChI=1S/C14H15NOS/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14,16H,10,15H2
InChIKeyPRAFUAGEEUPOGO-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-1-phenylethanol

2-(4-aminophenyl)sulfanyl-1-phenylethanol (PubChem CID 51062435) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-1-phenylethanol.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-1-phenylethanol
PubChem CID51062435
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(4-aminophenyl)sulfanyl-1-phenylethanol
SMILESNc1ccc(SCC(O)c2ccccc2)cc1
InChIInChI=1S/C14H15NOS/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14,16H,10,15H2
InChIKeyPRAFUAGEEUPOGO-UHFFFAOYSA-N
XLogP3.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanol
CID 60981441
1-(4-aminophenyl)-2-benzylsulfanylethanol
CID 62265593
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018
2-(3-aminopyrazin-2-yl)sulfanyl-1-phenylethanol
CID 106678826
1-(4-ethylphenyl)-2-phenylsulfanylethanol
CID 4786904
2-(2-amino-4-fluorophenyl)sulfanyl-1-phenylethanol
CID 60883938
4-(2-amino-2-phenylethyl)sulfanylphenol
CID 55241313
(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
CID 54276659
2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
CID 101079364
S-(2-hydroxy-2-phenylethyl) ethanethioate
CID 54671680
2-amino-1-phenylethanol;ethane
CID 91425169

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-1-phenylethanol?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-1-phenylethanol (CID 51062435) is 2-(4-aminophenyl)sulfanyl-1-phenylethanol.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-1-phenylethanol?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-1-phenylethanol is Nc1ccc(SCC(O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-1-phenylethanol?
The InChIKey is PRAFUAGEEUPOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14,16H,10,15H2.
What are the key properties of 2-(4-aminophenyl)sulfanyl-1-phenylethanol?
2-(4-aminophenyl)sulfanyl-1-phenylethanol has a molecular weight of 245.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-1-phenylethanol is sourced from PubChem (CID 51062435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).