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

C8H14O3S — CID 115094511

IUPAC[2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(C2CCCS2)O1
InChIInChI=1S/C8H14O3S/c9-4-6-5-10-8(11-6)7-2-1-3-12-7/h6-9H,1-5H2
InChIKeyPQCDABULNXOYJM-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.62
Rot. Bonds2

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

[2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 115094511) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID115094511
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name[2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(C2CCCS2)O1
InChIInChI=1S/C8H14O3S/c9-4-6-5-10-8(11-6)7-2-1-3-12-7/h6-9H,1-5H2
InChIKeyPQCDABULNXOYJM-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5S)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 24768571
(2S,3S,4S,5R)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576720
(2S,3S,4S,5S)-2-(butylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576718
(2S,3S,4S,5R)-2-(butylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576719
GlyTouCan:G71227UL
CID 46875298
5-(Ethylsulfanylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 295502
(3S,4S,5S)-2-hexylsulfanyl-5-methoxy-tetrahydrofuran-3,4-diol
CID 86574821
(3S,4S,5R)-2-hexylsulfanyl-5-methoxy-tetrahydrofuran-3,4-diol
CID 86574824
((3aS,4R,6aR)-2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl)methanol
CID 11063220
[(2S,3S,4S)-2-[[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]methyl]-4,5-dihydroxyoxolan-3-yl] sulfate
CID 11530619
[(2S,3R,4R)-2-[[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]methyl]-4,5-dihydroxyoxolan-3-yl] sulfate
CID 12172448
1,4-Dioxa-7-thiaspiro[4.4]nonan-6-ylmethanol
CID 21276500

Frequently Asked Questions

What is the IUPAC name of [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol (CID 115094511) is [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol is OCC1COC(C2CCCS2)O1.
What is the InChIKey of [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is PQCDABULNXOYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c9-4-6-5-10-8(11-6)7-2-1-3-12-7/h6-9H,1-5H2.
What are the key properties of [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
[2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 190.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 115094511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).