(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol

C13H14OS2 — CID 94830631

IUPAC(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
SMILESO[C@H](CCSc1ccccc1)c1cccs1
InChIInChI=1S/C13H14OS2/c14-12(13-7-4-9-16-13)8-10-15-11-5-2-1-3-6-11/h1-7,9,12,14H,8,10H2/t12-/m1/s1
InChIKeyAGUOBGVIKQWMFE-GFCCVEGCSA-N
MW250.39 g/mol
LogP3.96
Rot. Bonds5

About (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol

(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 94830631) has the molecular formula C13H14OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
PubChem CID94830631
Molecular FormulaC13H14OS2
Molecular Weight250.39 g/mol
Exact Mass250.05
IUPAC Name(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
SMILESO[C@H](CCSc1ccccc1)c1cccs1
InChIInChI=1S/C13H14OS2/c14-12(13-7-4-9-16-13)8-10-15-11-5-2-1-3-6-11/h1-7,9,12,14H,8,10H2/t12-/m1/s1
InChIKeyAGUOBGVIKQWMFE-GFCCVEGCSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 116504809
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
CID 94830635
4-phenylsulfanyl-N-[phenyl(thiophen-2-yl)methyl]butanamide
CID 24683529
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
2-(3-bromophenyl)sulfanyl-1-thiophen-2-ylethanol
CID 63102586
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
CID 79228749
(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 11515325

Frequently Asked Questions

What is the IUPAC name of (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol (CID 94830631) is (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol is O[C@H](CCSc1ccccc1)c1cccs1.
What is the InChIKey of (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is AGUOBGVIKQWMFE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14OS2/c14-12(13-7-4-9-16-13)8-10-15-11-5-2-1-3-6-11/h1-7,9,12,14H,8,10H2/t12-/m1/s1.
What are the key properties of (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol?
(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 94830631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).