thiolan-2-ol

C4H8OS — CID 13451042

IUPACthiolan-2-ol
SMILESOC1CCCS1
InChIInChI=1S/C4H8OS/c5-4-2-1-3-6-4/h4-5H,1-3H2
InChIKeyYJGRCQPSXYULTO-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.83
Rot. Bonds

About thiolan-2-ol

thiolan-2-ol (PubChem CID 13451042) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is thiolan-2-ol.

Molecular Properties

Compound Namethiolan-2-ol
PubChem CID13451042
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Namethiolan-2-ol
SMILESOC1CCCS1
InChIInChI=1S/C4H8OS/c5-4-2-1-3-6-4/h4-5H,1-3H2
InChIKeyYJGRCQPSXYULTO-UHFFFAOYSA-N
XLogP0.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiolan-2-ol?
The IUPAC name of thiolan-2-ol (CID 13451042) is thiolan-2-ol.
What is the SMILES notation for thiolan-2-ol?
The canonical SMILES for thiolan-2-ol is OC1CCCS1.
What is the InChIKey of thiolan-2-ol?
The InChIKey is YJGRCQPSXYULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c5-4-2-1-3-6-4/h4-5H,1-3H2.
What are the key properties of thiolan-2-ol?
thiolan-2-ol has a molecular weight of 104.17 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-2-ol is sourced from PubChem (CID 13451042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).