1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol

C14H22OS2 — CID 65139939

IUPAC1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol
SMILESOC(CCc1ccsc1)CSC1CCCCC1
InChIInChI=1S/C14H22OS2/c15-13(7-6-12-8-9-16-10-12)11-17-14-4-2-1-3-5-14/h8-10,13-15H,1-7,11H2
InChIKeyBXGNDWPZQGCZHI-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.11
Rot. Bonds6

About 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol

1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol (PubChem CID 65139939) has the molecular formula C14H22OS2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol
PubChem CID65139939
Molecular FormulaC14H22OS2
Molecular Weight270.46 g/mol
Exact Mass270.11
IUPAC Name1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol
SMILESOC(CCc1ccsc1)CSC1CCCCC1
InChIInChI=1S/C14H22OS2/c15-13(7-6-12-8-9-16-10-12)11-17-14-4-2-1-3-5-14/h8-10,13-15H,1-7,11H2
InChIKeyBXGNDWPZQGCZHI-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-5-thiophen-3-ylpentan-3-ol
CID 115798364
(1-cyclohexylsulfanyl-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105227893
1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65132704
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol
CID 105097810
4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
CID 57068108
1-cyclohexylsulfanyl-3-(4-iodophenyl)propan-2-ol
CID 65479114
1-(oxolan-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65331589
1-cyclopentyl-5-thiophen-3-ylpentan-3-amine
CID 115857138
1-cyclopentylsulfanyl-3-(4-ethylphenyl)propan-2-ol
CID 65138544
1-(4-chlorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 65138542
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol?
The IUPAC name of 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol (CID 65139939) is 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol is OC(CCc1ccsc1)CSC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol?
The InChIKey is BXGNDWPZQGCZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS2/c15-13(7-6-12-8-9-16-10-12)11-17-14-4-2-1-3-5-14/h8-10,13-15H,1-7,11H2.
What are the key properties of 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol?
1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 65139939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).