(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol

C18H16OS — CID 10802720

IUPAC(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
SMILESO[C@@H](c1ccc2ccccc2c1)[C@@H](S)c1ccccc1
InChIInChI=1S/C18H16OS/c19-17(18(20)14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-20H/t17-,18-/m0/s1
InChIKeyXNRWHNPIVLYFFK-ROUUACIJSA-N
MW280.39 g/mol
LogP4.54
Rot. Bonds3

About (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol

(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol (PubChem CID 10802720) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol.

Molecular Properties

Compound Name(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
PubChem CID10802720
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
SMILESO[C@@H](c1ccc2ccccc2c1)[C@@H](S)c1ccccc1
InChIInChI=1S/C18H16OS/c19-17(18(20)14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-20H/t17-,18-/m0/s1
InChIKeyXNRWHNPIVLYFFK-ROUUACIJSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalen-2-ylmethanediol
CID 22496827
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
(1S,2S)-1-naphthalen-2-yl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 10709738
anthracen-2-yl(phenyl)methanol
CID 15685338
2,3-dihydroxy-3-naphthalen-2-ylpropanenitrile
CID 171870416
amino(naphthalen-2-yl)methanethiol
CID 116939563
1-naphthalen-2-ylethanethiol
CID 11672816
amino(naphthalen-2-yl)methanol
CID 57110079
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195
(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 20631903
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol?
The IUPAC name of (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol (CID 10802720) is (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol.
What is the SMILES notation for (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol?
The canonical SMILES for (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol is O[C@@H](c1ccc2ccccc2c1)[C@@H](S)c1ccccc1.
What is the InChIKey of (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol?
The InChIKey is XNRWHNPIVLYFFK-ROUUACIJSA-N. The full InChI is InChI=1S/C18H16OS/c19-17(18(20)14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-20H/t17-,18-/m0/s1.
What are the key properties of (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol?
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol has a molecular weight of 280.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol is sourced from PubChem (CID 10802720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).