2-amino-2-(4-phenoxyphenyl)ethanethiol

C14H15NOS — CID 116830487

IUPAC2-amino-2-(4-phenoxyphenyl)ethanethiol
SMILESNC(CS)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H15NOS/c15-14(10-17)11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9,14,17H,10,15H2
InChIKeyDJBGXJZLGXKJJJ-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.41
Rot. Bonds4

About 2-amino-2-(4-phenoxyphenyl)ethanethiol

2-amino-2-(4-phenoxyphenyl)ethanethiol (PubChem CID 116830487) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-amino-2-(4-phenoxyphenyl)ethanethiol.

Molecular Properties

Compound Name2-amino-2-(4-phenoxyphenyl)ethanethiol
PubChem CID116830487
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-amino-2-(4-phenoxyphenyl)ethanethiol
SMILESNC(CS)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H15NOS/c15-14(10-17)11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9,14,17H,10,15H2
InChIKeyDJBGXJZLGXKJJJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-3-(4-phenoxyphenyl)propanenitrile
CID 171260053
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
methyl (3S)-3-amino-3-(4-phenoxyphenyl)propanoate
CID 171242566
methyl (3R)-3-amino-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249296
2-(4-phenoxyphenyl)propan-1-amine
CID 16736129
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
2-amino-3-(4-phenoxyphenyl)sulfonylpropane-1-thiol
CID 54495806
(1R,2S)-1-amino-1-(4-phenoxyphenyl)-3-phenylpropan-2-ol
CID 171263718
3-(4-phenoxyphenyl)butanethioamide
CID 83938971
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-phenoxyphenyl)ethanethiol?
The IUPAC name of 2-amino-2-(4-phenoxyphenyl)ethanethiol (CID 116830487) is 2-amino-2-(4-phenoxyphenyl)ethanethiol.
What is the SMILES notation for 2-amino-2-(4-phenoxyphenyl)ethanethiol?
The canonical SMILES for 2-amino-2-(4-phenoxyphenyl)ethanethiol is NC(CS)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-amino-2-(4-phenoxyphenyl)ethanethiol?
The InChIKey is DJBGXJZLGXKJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-14(10-17)11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9,14,17H,10,15H2.
What are the key properties of 2-amino-2-(4-phenoxyphenyl)ethanethiol?
2-amino-2-(4-phenoxyphenyl)ethanethiol has a molecular weight of 245.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-phenoxyphenyl)ethanethiol is sourced from PubChem (CID 116830487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).