5-methylthiolan-2-ol

C5H10OS — CID 89055474

IUPAC5-methylthiolan-2-ol
SMILESCC1CCC(O)S1
InChIInChI=1S/C5H10OS/c1-4-2-3-5(6)7-4/h4-6H,2-3H2,1H3
InChIKeyHMUNLJKDSRWFRK-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.22
Rot. Bonds

About 5-methylthiolan-2-ol

5-methylthiolan-2-ol (PubChem CID 89055474) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 5-methylthiolan-2-ol.

Molecular Properties

Compound Name5-methylthiolan-2-ol
PubChem CID89055474
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name5-methylthiolan-2-ol
SMILESCC1CCC(O)S1
InChIInChI=1S/C5H10OS/c1-4-2-3-5(6)7-4/h4-6H,2-3H2,1H3
InChIKeyHMUNLJKDSRWFRK-UHFFFAOYSA-N
XLogP1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylthiolan-2-ol?
The IUPAC name of 5-methylthiolan-2-ol (CID 89055474) is 5-methylthiolan-2-ol.
What is the SMILES notation for 5-methylthiolan-2-ol?
The canonical SMILES for 5-methylthiolan-2-ol is CC1CCC(O)S1.
What is the InChIKey of 5-methylthiolan-2-ol?
The InChIKey is HMUNLJKDSRWFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-2-3-5(6)7-4/h4-6H,2-3H2,1H3.
What are the key properties of 5-methylthiolan-2-ol?
5-methylthiolan-2-ol has a molecular weight of 118.20 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthiolan-2-ol is sourced from PubChem (CID 89055474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).