[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol

C8H14O3S — CID 115094409

IUPAC[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(C2CCSC2)O1
InChIInChI=1S/C8H14O3S/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h6-9H,1-5H2
InChIKeyKNDKAUOZBRMHHU-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.47
Rot. Bonds2

About [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol

[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 115094409) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID115094409
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(C2CCSC2)O1
InChIInChI=1S/C8H14O3S/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h6-9H,1-5H2
InChIKeyKNDKAUOZBRMHHU-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dioxolane-4-methanol, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56942
1,3-Dioxolane-4-methanol, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56943
(3-Methyl-1,4-dioxa-7-thiaspiro[4.4]nonan-9-yl)methanol
CID 70396306
[2-(1,1-Dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094408
[2-(Thian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 115094429
[2-(Thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094450
[2-(Thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094471
[2-(Thian-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094491
[2-(Thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094511
[2-(Thiolan-2-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094553
2-[2-(Thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168347
2-[2-Methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168349

Frequently Asked Questions

What is the IUPAC name of [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol (CID 115094409) is [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol is OCC1COC(C2CCSC2)O1.
What is the InChIKey of [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is KNDKAUOZBRMHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c9-3-7-4-10-8(11-7)6-1-2-12-5-6/h6-9H,1-5H2.
What are the key properties of [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
[2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 190.26 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiolan-3-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 115094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).