4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane

C5H10O3S — CID 163566009

IUPAC4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(SO)O1
InChIInChI=1S/C5H10O3S/c1-5(2)7-3-4(8-5)9-6/h4,6H,3H2,1-2H3
InChIKeyFVGBQHXCHUPUDE-UHFFFAOYSA-N
MW150.20 g/mol
LogP1.30
Rot. Bonds1

About 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane

4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 163566009) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane
PubChem CID163566009
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OCC(SO)O1
InChIInChI=1S/C5H10O3S/c1-5(2)7-3-4(8-5)9-6/h4,6H,3H2,1-2H3
InChIKeyFVGBQHXCHUPUDE-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
2,2-dimethyl-1,3-dioxolan-4-ol;methanol
CID 70486322
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-dimethylcyclopentyl]-2,2-dimethyl-1,3-dioxolane
CID 70943603
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine
CID 55303426
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
CID 100965726
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclopropyl]methanol
CID 85125788

Frequently Asked Questions

What is the IUPAC name of 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane (CID 163566009) is 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane is CC1(C)OCC(SO)O1.
What is the InChIKey of 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FVGBQHXCHUPUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-5(2)7-3-4(8-5)9-6/h4,6H,3H2,1-2H3.
What are the key properties of 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane?
4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 150.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxysulfanyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 163566009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).