4-butylthiolan-3-ol

C8H16OS — CID 83190040

IUPAC4-butylthiolan-3-ol
SMILESCCCCC1CSCC1O
InChIInChI=1S/C8H16OS/c1-2-3-4-7-5-10-6-8(7)9/h7-9H,2-6H2,1H3
InChIKeyKRTGXORNIKHHCQ-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.90
Rot. Bonds3

About 4-butylthiolan-3-ol

4-butylthiolan-3-ol (PubChem CID 83190040) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 4-butylthiolan-3-ol.

Molecular Properties

Compound Name4-butylthiolan-3-ol
PubChem CID83190040
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name4-butylthiolan-3-ol
SMILESCCCCC1CSCC1O
InChIInChI=1S/C8H16OS/c1-2-3-4-7-5-10-6-8(7)9/h7-9H,2-6H2,1H3
InChIKeyKRTGXORNIKHHCQ-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
4-butyl-N-methylthiolan-3-amine
CID 83195974
(3S,4S)-3-propylthian-4-ol
CID 101042409
4-nonylthiolan-3-amine
CID 83196598
3-chloro-4-octylthiolane
CID 83191147
1-(4-hydroxythiolan-3-yl)propan-2-one
CID 115012609
3-butylthiane-4-carboxylic acid
CID 84776980
4-butyl-2,3-dimethylcyclohexan-1-ol
CID 58534220
4-butyl-1-methylpyrrolidin-3-ol
CID 140584543
4-butylthian-3-amine
CID 84766556
4-octyl-N-propylthiolan-3-amine
CID 83196109

Frequently Asked Questions

What is the IUPAC name of 4-butylthiolan-3-ol?
The IUPAC name of 4-butylthiolan-3-ol (CID 83190040) is 4-butylthiolan-3-ol.
What is the SMILES notation for 4-butylthiolan-3-ol?
The canonical SMILES for 4-butylthiolan-3-ol is CCCCC1CSCC1O.
What is the InChIKey of 4-butylthiolan-3-ol?
The InChIKey is KRTGXORNIKHHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-2-3-4-7-5-10-6-8(7)9/h7-9H,2-6H2,1H3.
What are the key properties of 4-butylthiolan-3-ol?
4-butylthiolan-3-ol has a molecular weight of 160.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylthiolan-3-ol is sourced from PubChem (CID 83190040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).