1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol

C13H20OS2 — CID 105097810

IUPAC1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol
SMILESOC(CCc1ccsc1)CC1CCSCC1
InChIInChI=1S/C13H20OS2/c14-13(2-1-12-5-8-16-10-12)9-11-3-6-15-7-4-11/h5,8,10-11,13-14H,1-4,6-7,9H2
InChIKeyNFXDHPDVDYNTJL-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.57
Rot. Bonds5

About 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol

1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol (PubChem CID 105097810) has the molecular formula C13H20OS2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol
PubChem CID105097810
Molecular FormulaC13H20OS2
Molecular Weight256.44 g/mol
Exact Mass256.10
IUPAC Name1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol
SMILESOC(CCc1ccsc1)CC1CCSCC1
InChIInChI=1S/C13H20OS2/c14-13(2-1-12-5-8-16-10-12)9-11-3-6-15-7-4-11/h5,8,10-11,13-14H,1-4,6-7,9H2
InChIKeyNFXDHPDVDYNTJL-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63354651
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1-(thian-4-yl)-4-thiophen-3-ylbutan-2-one
CID 105099932
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105137524
1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65139939
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
1-(thiolan-3-yl)-2-thiophen-3-ylethanol
CID 105089532
1-(4-propylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 65423572
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
3-(2-cyclopropylethyl)thiophene
CID 159324839
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831

Frequently Asked Questions

What is the IUPAC name of 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol?
The IUPAC name of 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol (CID 105097810) is 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol is OC(CCc1ccsc1)CC1CCSCC1.
What is the InChIKey of 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol?
The InChIKey is NFXDHPDVDYNTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS2/c14-13(2-1-12-5-8-16-10-12)9-11-3-6-15-7-4-11/h5,8,10-11,13-14H,1-4,6-7,9H2.
What are the key properties of 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol?
1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol has a molecular weight of 256.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 105097810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).