(2S)-3,4-dimethylthiolan-2-ol

C6H12OS — CID 123988402

IUPAC(2S)-3,4-dimethylthiolan-2-ol
SMILESCC1CS[C@H](O)C1C
InChIInChI=1S/C6H12OS/c1-4-3-8-6(7)5(4)2/h4-7H,3H2,1-2H3/t4?,5?,6-/m0/s1
InChIKeyCREOYOGISFJKNO-WRVKLSGPSA-N
MW132.23 g/mol
LogP1.32
Rot. Bonds

About (2S)-3,4-dimethylthiolan-2-ol

(2S)-3,4-dimethylthiolan-2-ol (PubChem CID 123988402) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2S)-3,4-dimethylthiolan-2-ol.

Molecular Properties

Compound Name(2S)-3,4-dimethylthiolan-2-ol
PubChem CID123988402
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2S)-3,4-dimethylthiolan-2-ol
SMILESCC1CS[C@H](O)C1C
InChIInChI=1S/C6H12OS/c1-4-3-8-6(7)5(4)2/h4-7H,3H2,1-2H3/t4?,5?,6-/m0/s1
InChIKeyCREOYOGISFJKNO-WRVKLSGPSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiolan-3-ylmethanol
CID 20624486
Tetrahydro-2,2-dimethyl-3-thiophenemethanol
CID 12760971
(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol
CID 134929891
Thiolan-2-ol
CID 13451042
(3-Fluorothiolan-3-yl)methanol
CID 84020627
(4-Fluorothiolan-3-yl)methanol
CID 105530000
[(3R,4S)-4-fluorothiolan-3-yl]methanol
CID 105531098
[(3S,4S)-4-fluorothiolan-3-yl]methanol
CID 105531327
[4-(Hydroxymethyl)thiolan-3-yl]methanol
CID 275342
(3R,4S)-4-methylthiolan-3-ol
CID 11819076
3-Ethylsulfanyl-2-methylpropan-1-ol
CID 12056376
(2-Methylthiolan-2-yl)methanol
CID 12253804

Frequently Asked Questions

What is the IUPAC name of (2S)-3,4-dimethylthiolan-2-ol?
The IUPAC name of (2S)-3,4-dimethylthiolan-2-ol (CID 123988402) is (2S)-3,4-dimethylthiolan-2-ol.
What is the SMILES notation for (2S)-3,4-dimethylthiolan-2-ol?
The canonical SMILES for (2S)-3,4-dimethylthiolan-2-ol is CC1CS[C@H](O)C1C.
What is the InChIKey of (2S)-3,4-dimethylthiolan-2-ol?
The InChIKey is CREOYOGISFJKNO-WRVKLSGPSA-N. The full InChI is InChI=1S/C6H12OS/c1-4-3-8-6(7)5(4)2/h4-7H,3H2,1-2H3/t4?,5?,6-/m0/s1.
What are the key properties of (2S)-3,4-dimethylthiolan-2-ol?
(2S)-3,4-dimethylthiolan-2-ol has a molecular weight of 132.23 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-dimethylthiolan-2-ol is sourced from PubChem (CID 123988402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).