[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol

C9H12O2S2 — CID 111975961

IUPAC[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol
SMILESOCC1(CSc2cccs2)COC1
InChIInChI=1S/C9H12O2S2/c10-4-9(5-11-6-9)7-13-8-2-1-3-12-8/h1-3,10H,4-7H2
InChIKeyCACSRXWUMMGHTL-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.85
Rot. Bonds4

About [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol

[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol (PubChem CID 111975961) has the molecular formula C9H12O2S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol
PubChem CID111975961
Molecular FormulaC9H12O2S2
Molecular Weight216.33 g/mol
Exact Mass216.03
IUPAC Name[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol
SMILESOCC1(CSc2cccs2)COC1
InChIInChI=1S/C9H12O2S2/c10-4-9(5-11-6-9)7-13-8-2-1-3-12-8/h1-3,10H,4-7H2
InChIKeyCACSRXWUMMGHTL-UHFFFAOYSA-N
XLogP1.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxetan-3-yl]methanol
CID 111975971
2-[[1-(bromomethyl)cyclopentyl]methylsulfanyl]thiophene
CID 65001558
[3-[[methyl(thiophen-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 115248861
1-(thiophen-2-ylsulfanylmethyl)cyclopentan-1-ol
CID 65212586
[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
CID 111975959
3-methyl-4-[(2-thiophen-2-ylsulfanylacetyl)amino]oxolane-3-carboxylic acid
CID 66249495
2-(3-thiophen-2-yloxetan-3-yl)oxyethanol
CID 162405161
3-(thiophen-2-ylsulfanylmethyl)oxolane
CID 130622094
2-(thiophen-2-ylsulfanylmethyl)prop-2-enoic acid
CID 21268829
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
[3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxetan-3-yl]methanol
CID 111976545
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354

Frequently Asked Questions

What is the IUPAC name of [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol (CID 111975961) is [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol is OCC1(CSc2cccs2)COC1.
What is the InChIKey of [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol?
The InChIKey is CACSRXWUMMGHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S2/c10-4-9(5-11-6-9)7-13-8-2-1-3-12-8/h1-3,10H,4-7H2.
What are the key properties of [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol?
[3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol has a molecular weight of 216.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophen-2-ylsulfanylmethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 111975961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).