3-(2-methylpropyl)thiolan-3-ol

C8H16OS — CID 79949909

IUPAC3-(2-methylpropyl)thiolan-3-ol
SMILESCC(C)CC1(O)CCSC1
InChIInChI=1S/C8H16OS/c1-7(2)5-8(9)3-4-10-6-8/h7,9H,3-6H2,1-2H3
InChIKeyUWRLIGSSXOHCCW-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.90
Rot. Bonds2

About 3-(2-methylpropyl)thiolan-3-ol

3-(2-methylpropyl)thiolan-3-ol (PubChem CID 79949909) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)thiolan-3-ol
PubChem CID79949909
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-(2-methylpropyl)thiolan-3-ol
SMILESCC(C)CC1(O)CCSC1
InChIInChI=1S/C8H16OS/c1-7(2)5-8(9)3-4-10-6-8/h7,9H,3-6H2,1-2H3
InChIKeyUWRLIGSSXOHCCW-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)thiolan-3-ol?
The IUPAC name of 3-(2-methylpropyl)thiolan-3-ol (CID 79949909) is 3-(2-methylpropyl)thiolan-3-ol.
What is the SMILES notation for 3-(2-methylpropyl)thiolan-3-ol?
The canonical SMILES for 3-(2-methylpropyl)thiolan-3-ol is CC(C)CC1(O)CCSC1.
What is the InChIKey of 3-(2-methylpropyl)thiolan-3-ol?
The InChIKey is UWRLIGSSXOHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)5-8(9)3-4-10-6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)thiolan-3-ol?
3-(2-methylpropyl)thiolan-3-ol has a molecular weight of 160.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)thiolan-3-ol is sourced from PubChem (CID 79949909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).