(1S)-1-thiophen-3-ylethanol

C6H8OS — CID 11297979

IUPAC(1S)-1-thiophen-3-ylethanol
SMILESC[C@H](O)c1ccsc1
InChIInChI=1S/C6H8OS/c1-5(7)6-2-3-8-4-6/h2-5,7H,1H3/t5-/m0/s1
InChIKeyAJKKZEHIYREOFF-YFKPBYRVSA-N
MW128.20 g/mol
LogP1.80
Rot. Bonds1

About (1S)-1-thiophen-3-ylethanol

(1S)-1-thiophen-3-ylethanol (PubChem CID 11297979) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is (1S)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name(1S)-1-thiophen-3-ylethanol
PubChem CID11297979
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name(1S)-1-thiophen-3-ylethanol
SMILESC[C@H](O)c1ccsc1
InChIInChI=1S/C6H8OS/c1-5(7)6-2-3-8-4-6/h2-5,7H,1H3/t5-/m0/s1
InChIKeyAJKKZEHIYREOFF-YFKPBYRVSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-thiophen-3-ylethanol
CID 12744375
1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
CID 158976619
1-chloro-1-thiophen-3-ylpropan-2-ol
CID 174465354
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
1-thiophen-3-ylbut-2-yn-1-ol
CID 130174336
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572

Frequently Asked Questions

What is the IUPAC name of (1S)-1-thiophen-3-ylethanol?
The IUPAC name of (1S)-1-thiophen-3-ylethanol (CID 11297979) is (1S)-1-thiophen-3-ylethanol.
What is the SMILES notation for (1S)-1-thiophen-3-ylethanol?
The canonical SMILES for (1S)-1-thiophen-3-ylethanol is C[C@H](O)c1ccsc1.
What is the InChIKey of (1S)-1-thiophen-3-ylethanol?
The InChIKey is AJKKZEHIYREOFF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8OS/c1-5(7)6-2-3-8-4-6/h2-5,7H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-thiophen-3-ylethanol?
(1S)-1-thiophen-3-ylethanol has a molecular weight of 128.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-thiophen-3-ylethanol is sourced from PubChem (CID 11297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).