(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol

C6H10OS — CID 89139064

IUPAC(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
SMILESC[C@H](O)C1=CCCS1
InChIInChI=1S/C6H10OS/c1-5(7)6-3-2-4-8-6/h3,5,7H,2,4H2,1H3/t5-/m0/s1
InChIKeyAGNPYUOSSLPWQW-YFKPBYRVSA-N
MW130.21 g/mol
LogP1.39
Rot. Bonds1

About (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol

(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol (PubChem CID 89139064) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
PubChem CID89139064
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
SMILESC[C@H](O)C1=CCCS1
InChIInChI=1S/C6H10OS/c1-5(7)6-3-2-4-8-6/h3,5,7H,2,4H2,1H3/t5-/m0/s1
InChIKeyAGNPYUOSSLPWQW-YFKPBYRVSA-N
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol?
The IUPAC name of (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol (CID 89139064) is (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol?
The canonical SMILES for (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol is C[C@H](O)C1=CCCS1.
What is the InChIKey of (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol?
The InChIKey is AGNPYUOSSLPWQW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10OS/c1-5(7)6-3-2-4-8-6/h3,5,7H,2,4H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol?
(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol has a molecular weight of 130.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydrothiophen-5-yl)ethanol is sourced from PubChem (CID 89139064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).