4,4-dimethylthiolan-2-ol

C6H12OS — CID 57181017

IUPAC4,4-dimethylthiolan-2-ol
SMILESCC1(C)CSC(O)C1
InChIInChI=1S/C6H12OS/c1-6(2)3-5(7)8-4-6/h5,7H,3-4H2,1-2H3
InChIKeyQTCYGZSQDWPJQD-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.47
Rot. Bonds

About 4,4-dimethylthiolan-2-ol

4,4-dimethylthiolan-2-ol (PubChem CID 57181017) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 4,4-dimethylthiolan-2-ol.

Molecular Properties

Compound Name4,4-dimethylthiolan-2-ol
PubChem CID57181017
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name4,4-dimethylthiolan-2-ol
SMILESCC1(C)CSC(O)C1
InChIInChI=1S/C6H12OS/c1-6(2)3-5(7)8-4-6/h5,7H,3-4H2,1-2H3
InChIKeyQTCYGZSQDWPJQD-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiolan-3-ylmethanol
CID 20624486
Thiolan-2-ol
CID 13451042
(2S)-3,4-dimethylthiolan-2-ol
CID 123988402
2-(1,3-Dithiolan-2-yl)-2-methylpropan-1-ol
CID 129754875
(3-Fluorothiolan-3-yl)methanol
CID 84020627
3,3-Dimethyl-2-methylsulfanylbutan-1-ol
CID 13720555
(2-Methylthiolan-2-yl)methanol
CID 12253804
{1-[(Ethylsulfanyl)methyl]cyclopropyl}methanol
CID 67692203
4-(Hydroxymethyl)-4-methylthiolan-2-one
CID 68860382
[(3S)-thiolan-3-yl]methanol
CID 89040565
[(3S,4R)-4-methylthiolan-3-yl]methanol
CID 90444159
(4-Ethyldithiolan-4-yl)methanol
CID 118424519

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylthiolan-2-ol?
The IUPAC name of 4,4-dimethylthiolan-2-ol (CID 57181017) is 4,4-dimethylthiolan-2-ol.
What is the SMILES notation for 4,4-dimethylthiolan-2-ol?
The canonical SMILES for 4,4-dimethylthiolan-2-ol is CC1(C)CSC(O)C1.
What is the InChIKey of 4,4-dimethylthiolan-2-ol?
The InChIKey is QTCYGZSQDWPJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(2)3-5(7)8-4-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 4,4-dimethylthiolan-2-ol?
4,4-dimethylthiolan-2-ol has a molecular weight of 132.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylthiolan-2-ol is sourced from PubChem (CID 57181017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).