(2R,3R)-2-propan-2-ylthiolan-3-ol

C7H14OS — CID 10057633

IUPAC(2R,3R)-2-propan-2-ylthiolan-3-ol
SMILESCC(C)[C@H]1SCC[C@H]1O
InChIInChI=1S/C7H14OS/c1-5(2)7-6(8)3-4-9-7/h5-8H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyYRSVLBJDQCGDGH-RNFRBKRXSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds1

About (2R,3R)-2-propan-2-ylthiolan-3-ol

(2R,3R)-2-propan-2-ylthiolan-3-ol (PubChem CID 10057633) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2R,3R)-2-propan-2-ylthiolan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-propan-2-ylthiolan-3-ol
PubChem CID10057633
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2R,3R)-2-propan-2-ylthiolan-3-ol
SMILESCC(C)[C@H]1SCC[C@H]1O
InChIInChI=1S/C7H14OS/c1-5(2)7-6(8)3-4-9-7/h5-8H,3-4H2,1-2H3/t6-,7-/m1/s1
InChIKeyYRSVLBJDQCGDGH-RNFRBKRXSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-2-propan-2-ylthiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-propan-2-ylthiolan-3-ol?
The IUPAC name of (2R,3R)-2-propan-2-ylthiolan-3-ol (CID 10057633) is (2R,3R)-2-propan-2-ylthiolan-3-ol.
What is the SMILES notation for (2R,3R)-2-propan-2-ylthiolan-3-ol?
The canonical SMILES for (2R,3R)-2-propan-2-ylthiolan-3-ol is CC(C)[C@H]1SCC[C@H]1O.
What is the InChIKey of (2R,3R)-2-propan-2-ylthiolan-3-ol?
The InChIKey is YRSVLBJDQCGDGH-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14OS/c1-5(2)7-6(8)3-4-9-7/h5-8H,3-4H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2-propan-2-ylthiolan-3-ol?
(2R,3R)-2-propan-2-ylthiolan-3-ol has a molecular weight of 146.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-propan-2-ylthiolan-3-ol is sourced from PubChem (CID 10057633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).