3-ethylthietan-3-ol

C5H10OS — CID 83681713

IUPAC3-ethylthietan-3-ol
SMILESCCC1(O)CSC1
InChIInChI=1S/C5H10OS/c1-2-5(6)3-7-4-5/h6H,2-4H2,1H3
InChIKeyDSXUMTOFIRRTHS-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.87
Rot. Bonds1

About 3-ethylthietan-3-ol

3-ethylthietan-3-ol (PubChem CID 83681713) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 3-ethylthietan-3-ol.

Molecular Properties

Compound Name3-ethylthietan-3-ol
PubChem CID83681713
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name3-ethylthietan-3-ol
SMILESCCC1(O)CSC1
InChIInChI=1S/C5H10OS/c1-2-5(6)3-7-4-5/h6H,2-4H2,1H3
InChIKeyDSXUMTOFIRRTHS-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

4-ethylthian-4-ol
CID 83681865
3-(hydroxymethyl)-5,5-dimethylthian-3-ol
CID 82713156
2-(3-hydroxythietan-3-yl)acetic acid
CID 82594638
1-ethyl-3,3,5,5-tetramethylcyclohexan-1-ol
CID 66847688
3-[(4-ethylphenyl)methyl]-5,5-dimethylthian-3-ol
CID 79947093
3-amino-1-ethylcyclobutan-1-ol
CID 80561372
1-ethyl-4-(thian-4-ylamino)cyclohexan-1-ol
CID 115888197
3-(cyclopentylmethyl)-5,5-dimethylthian-3-ol
CID 79947542
4-ethyl-1-methanidylpiperidin-1-ium-4-ol
CID 21029995
3-[(2,5-dimethylpyrazol-3-yl)methyl]thietan-3-ol
CID 131124030
3-ethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45083126
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966

Frequently Asked Questions

What is the IUPAC name of 3-ethylthietan-3-ol?
The IUPAC name of 3-ethylthietan-3-ol (CID 83681713) is 3-ethylthietan-3-ol.
What is the SMILES notation for 3-ethylthietan-3-ol?
The canonical SMILES for 3-ethylthietan-3-ol is CCC1(O)CSC1.
What is the InChIKey of 3-ethylthietan-3-ol?
The InChIKey is DSXUMTOFIRRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-2-5(6)3-7-4-5/h6H,2-4H2,1H3.
What are the key properties of 3-ethylthietan-3-ol?
3-ethylthietan-3-ol 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 3-ethylthietan-3-ol is sourced from PubChem (CID 83681713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).