1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol

C11H16OS2 — CID 80623136

IUPAC1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)C1CCCS1
InChIInChI=1S/C11H16OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1,3,7,10-12H,2,4-6,8H2
InChIKeyGYFRWVINMPBELG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.94
Rot. Bonds4

About 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol

1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 80623136) has the molecular formula C11H16OS2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID80623136
Molecular FormulaC11H16OS2
Molecular Weight228.38 g/mol
Exact Mass228.06
IUPAC Name1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)C1CCCS1
InChIInChI=1S/C11H16OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1,3,7,10-12H,2,4-6,8H2
InChIKeyGYFRWVINMPBELG-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150255
N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
CID 80621899
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-thiophen-2-ylpropan-1-ol
CID 63773868
1-cyclopentyl-6-thiophen-2-ylhexan-3-ol
CID 114193701
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
CID 106830888
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
N-[thiolan-2-yl(thiophen-2-yl)methyl]ethanamine
CID 80626522
1-(1-ethylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 115800364
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
2-(thiolan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 119161102

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol (CID 80623136) is 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)C1CCCS1.
What is the InChIKey of 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is GYFRWVINMPBELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1,3,7,10-12H,2,4-6,8H2.
What are the key properties of 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol?
1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 80623136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).