1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol

C12H20OS2 — CID 65132704

IUPAC1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
SMILESCC(C)(C)SCC(O)CCc1ccsc1
InChIInChI=1S/C12H20OS2/c1-12(2,3)15-9-11(13)5-4-10-6-7-14-8-10/h6-8,11,13H,4-5,9H2,1-3H3
InChIKeySHOFOIZZKUUKMA-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.57
Rot. Bonds5

About 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol

1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol (PubChem CID 65132704) has the molecular formula C12H20OS2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
PubChem CID65132704
Molecular FormulaC12H20OS2
Molecular Weight244.42 g/mol
Exact Mass244.10
IUPAC Name1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol
SMILESCC(C)(C)SCC(O)CCc1ccsc1
InChIInChI=1S/C12H20OS2/c1-12(2,3)15-9-11(13)5-4-10-6-7-14-8-10/h6-8,11,13H,4-5,9H2,1-3H3
InChIKeySHOFOIZZKUUKMA-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65139939
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
4-ethyl-1-thiophen-3-ylhexane-3,4-diol
CID 103449392
1-cyclohexyl-5-thiophen-3-ylpentan-3-ol
CID 115798364
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
4-methyl-4-morpholin-4-yl-1-thiophen-3-ylpentan-3-ol
CID 79045888
4-propyl-1-thiophen-3-ylheptan-3-ol
CID 115798450
3,3-dimethyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139185
1-chloro-1,1-difluoro-4-thiophen-3-ylbutan-2-ol
CID 112575293
1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
CID 65131707
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
1-(thian-4-yl)-4-thiophen-3-ylbutan-2-ol
CID 105097810

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol?
The IUPAC name of 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol (CID 65132704) is 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol is CC(C)(C)SCC(O)CCc1ccsc1.
What is the InChIKey of 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol?
The InChIKey is SHOFOIZZKUUKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS2/c1-12(2,3)15-9-11(13)5-4-10-6-7-14-8-10/h6-8,11,13H,4-5,9H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol?
1-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol has a molecular weight of 244.42 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-tert-butylsulfanyl-4-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 65132704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).