2,2,4-trimethylthiolan-3-ol

C7H14OS — CID 86188929

IUPAC2,2,4-trimethylthiolan-3-ol
SMILESCC1CSC(C)(C)C1O
InChIInChI=1S/C7H14OS/c1-5-4-9-7(2,3)6(5)8/h5-6,8H,4H2,1-3H3
InChIKeyCULNYRLIMTUVBD-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds

About 2,2,4-trimethylthiolan-3-ol

2,2,4-trimethylthiolan-3-ol (PubChem CID 86188929) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2,2,4-trimethylthiolan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethylthiolan-3-ol
PubChem CID86188929
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2,2,4-trimethylthiolan-3-ol
SMILESCC1CSC(C)(C)C1O
InChIInChI=1S/C7H14OS/c1-5-4-9-7(2,3)6(5)8/h5-6,8H,4H2,1-3H3
InChIKeyCULNYRLIMTUVBD-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

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Related Compounds

2-Methylthiolan-3-ol
CID 19957309
trans-2-Methylthiolan-3-ol
CID 56991911
1,3-Dithiolane-4-methanol, 2-(1-methylbutyl)-
CID 55020
Tetrahydro-2,2-dimethyl-3-thiophenemethanol
CID 12760971
1-(Thietan-3-yl)propan-1-ol
CID 82593828
(2R,3R)-2-propan-2-ylthiolan-3-ol
CID 10057633
(2S,3S)-2-methylthiolan-3-ol
CID 10080386
2,2-Dimethylthiolan-3-ol
CID 70090338
(3-Fluoro-4-methylthiolan-2-yl)methanol
CID 155214624
1,1-Bis(ethylsulfanyl)-2,4-dimethylpentan-3-ol
CID 12129078
1-(1,3-Dithiolan-2-yl)-3-methylbutan-1-ol
CID 15535047
3-Methyl-4-(methylsulfanyl)butan-2-ol
CID 71401551

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylthiolan-3-ol?
The IUPAC name of 2,2,4-trimethylthiolan-3-ol (CID 86188929) is 2,2,4-trimethylthiolan-3-ol.
What is the SMILES notation for 2,2,4-trimethylthiolan-3-ol?
The canonical SMILES for 2,2,4-trimethylthiolan-3-ol is CC1CSC(C)(C)C1O.
What is the InChIKey of 2,2,4-trimethylthiolan-3-ol?
The InChIKey is CULNYRLIMTUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-5-4-9-7(2,3)6(5)8/h5-6,8H,4H2,1-3H3.
What are the key properties of 2,2,4-trimethylthiolan-3-ol?
2,2,4-trimethylthiolan-3-ol has a molecular weight of 146.25 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylthiolan-3-ol is sourced from PubChem (CID 86188929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).