1-(thietan-2-yl)ethanol

C5H10OS — CID 20756410

IUPAC1-(thietan-2-yl)ethanol
SMILESCC(O)C1CCS1
InChIInChI=1S/C5H10OS/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3
InChIKeyDRACAWPYUIOZBW-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.87
Rot. Bonds1

About 1-(thietan-2-yl)ethanol

1-(thietan-2-yl)ethanol (PubChem CID 20756410) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-(thietan-2-yl)ethanol.

Molecular Properties

Compound Name1-(thietan-2-yl)ethanol
PubChem CID20756410
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name1-(thietan-2-yl)ethanol
SMILESCC(O)C1CCS1
InChIInChI=1S/C5H10OS/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3
InChIKeyDRACAWPYUIOZBW-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothiopyran-3-ol
CID 90725
2-Methylthiolan-3-ol
CID 19957309
trans-2-Methylthiolan-3-ol
CID 56991911
3-(Methylsulfanyl)cyclobutan-1-ol
CID 125455793
2-(methylsulfanyl)cyclobutan-1-ol, Mixture of diastereomers
CID 155970669
(2S,3S)-2-methylthiolan-3-ol
CID 10080386
1-(Propylsulfanyl)pentan-2-ol
CID 65130016
4-Methyl thietan-2-ol
CID 129719913
2,4-Dimethylthietan-3-ol
CID 340161
2-Pentanol, 1-t-butylthio-
CID 546590
2-Butanol, 1-[(2-hydroxyethyl)thio]-
CID 564197
(r)-3-Hydroxytetrahydrothiapyran
CID 7058058

Frequently Asked Questions

What is the IUPAC name of 1-(thietan-2-yl)ethanol?
The IUPAC name of 1-(thietan-2-yl)ethanol (CID 20756410) is 1-(thietan-2-yl)ethanol.
What is the SMILES notation for 1-(thietan-2-yl)ethanol?
The canonical SMILES for 1-(thietan-2-yl)ethanol is CC(O)C1CCS1.
What is the InChIKey of 1-(thietan-2-yl)ethanol?
The InChIKey is DRACAWPYUIOZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-(thietan-2-yl)ethanol?
1-(thietan-2-yl)ethanol has a molecular weight of 118.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thietan-2-yl)ethanol is sourced from PubChem (CID 20756410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).