(2S)-1,4-oxathian-2-ol

C4H8O2S — CID 124507485

IUPAC(2S)-1,4-oxathian-2-ol
SMILESO[C@@H]1CSCCO1
InChIInChI=1S/C4H8O2S/c5-4-3-7-2-1-6-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyQMUHGNCOZLUAKC-BYPYZUCNSA-N
MW120.17 g/mol
LogP0.07
Rot. Bonds

About (2S)-1,4-oxathian-2-ol

(2S)-1,4-oxathian-2-ol (PubChem CID 124507485) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is (2S)-1,4-oxathian-2-ol.

Molecular Properties

Compound Name(2S)-1,4-oxathian-2-ol
PubChem CID124507485
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name(2S)-1,4-oxathian-2-ol
SMILESO[C@@H]1CSCCO1
InChIInChI=1S/C4H8O2S/c5-4-3-7-2-1-6-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyQMUHGNCOZLUAKC-BYPYZUCNSA-N
XLogP0.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-oxathiane-2-thiol
CID 57449077
oxetan-2-ol
CID 175273147
2-(1,4-oxathian-2-yl)acetic acid
CID 83669412
N'-hydroxy-1,4-oxathiane-2-carboximidamide
CID 126972602
(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
CID 104932260
(1R)-1-(1,4-oxathian-2-yl)ethanamine
CID 104932096
2-(2-methylpropyl)-1,4-oxathiane
CID 172588636
2-(1,4-oxathian-2-yl)acetaldehyde
CID 10396960
2-methyl-1-(1,4-oxathian-2-yl)propan-1-amine
CID 79963119
[cyclopentyl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249541
1,4-oxathian-2-yl(oxolan-3-yl)methanol
CID 79963788
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol
CID 79968592

Frequently Asked Questions

What is the IUPAC name of (2S)-1,4-oxathian-2-ol?
The IUPAC name of (2S)-1,4-oxathian-2-ol (CID 124507485) is (2S)-1,4-oxathian-2-ol.
What is the SMILES notation for (2S)-1,4-oxathian-2-ol?
The canonical SMILES for (2S)-1,4-oxathian-2-ol is O[C@@H]1CSCCO1.
What is the InChIKey of (2S)-1,4-oxathian-2-ol?
The InChIKey is QMUHGNCOZLUAKC-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8O2S/c5-4-3-7-2-1-6-4/h4-5H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-1,4-oxathian-2-ol?
(2S)-1,4-oxathian-2-ol has a molecular weight of 120.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,4-oxathian-2-ol is sourced from PubChem (CID 124507485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).