2-phenyl-1-(4-sulfanylanilino)ethanol

C14H15NOS — CID 143459369

IUPAC2-phenyl-1-(4-sulfanylanilino)ethanol
SMILESOC(Cc1ccccc1)Nc1ccc(S)cc1
InChIInChI=1S/C14H15NOS/c16-14(10-11-4-2-1-3-5-11)15-12-6-8-13(17)9-7-12/h1-9,14-17H,10H2
InChIKeyRGMHWAWWHAWTBK-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.95
Rot. Bonds4

About 2-phenyl-1-(4-sulfanylanilino)ethanol

2-phenyl-1-(4-sulfanylanilino)ethanol (PubChem CID 143459369) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-phenyl-1-(4-sulfanylanilino)ethanol.

Molecular Properties

Compound Name2-phenyl-1-(4-sulfanylanilino)ethanol
PubChem CID143459369
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-phenyl-1-(4-sulfanylanilino)ethanol
SMILESOC(Cc1ccccc1)Nc1ccc(S)cc1
InChIInChI=1S/C14H15NOS/c16-14(10-11-4-2-1-3-5-11)15-12-6-8-13(17)9-7-12/h1-9,14-17H,10H2
InChIKeyRGMHWAWWHAWTBK-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylanilino)propan-1-ol
CID 141374404
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
2-(4-aminoanilino)-4-phenyl-3-sulfanylbutan-1-ol
CID 87733405
(1R)-1,2-diphenylethanol
CID 1379022
(1R)-1-fluoro-2-phenylethanol
CID 163366132
1,6-diphenylhexane-2,5-diol
CID 15072586
N-(1-phenylpropan-2-yl)thiohydroxylamine
CID 23498394
4-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]benzonitrile
CID 133328023
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
CID 86314144

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-sulfanylanilino)ethanol?
The IUPAC name of 2-phenyl-1-(4-sulfanylanilino)ethanol (CID 143459369) is 2-phenyl-1-(4-sulfanylanilino)ethanol.
What is the SMILES notation for 2-phenyl-1-(4-sulfanylanilino)ethanol?
The canonical SMILES for 2-phenyl-1-(4-sulfanylanilino)ethanol is OC(Cc1ccccc1)Nc1ccc(S)cc1.
What is the InChIKey of 2-phenyl-1-(4-sulfanylanilino)ethanol?
The InChIKey is RGMHWAWWHAWTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-14(10-11-4-2-1-3-5-11)15-12-6-8-13(17)9-7-12/h1-9,14-17H,10H2.
What are the key properties of 2-phenyl-1-(4-sulfanylanilino)ethanol?
2-phenyl-1-(4-sulfanylanilino)ethanol has a molecular weight of 245.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-sulfanylanilino)ethanol is sourced from PubChem (CID 143459369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).