1-thieno[3,2-b]thiophen-5-ylbutan-1-ol

C10H12OS2 — CID 115780945

IUPAC1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
SMILESCCCC(O)c1cc2sccc2s1
InChIInChI=1S/C10H12OS2/c1-2-3-7(11)9-6-10-8(13-9)4-5-12-10/h4-7,11H,2-3H2,1H3
InChIKeyBCRCSEBAEONGIQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP3.80
Rot. Bonds3

About 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol

1-thieno[3,2-b]thiophen-5-ylbutan-1-ol (PubChem CID 115780945) has the molecular formula C10H12OS2 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol.

Molecular Properties

Compound Name1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
PubChem CID115780945
Molecular FormulaC10H12OS2
Molecular Weight212.34 g/mol
Exact Mass212.03
IUPAC Name1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
SMILESCCCC(O)c1cc2sccc2s1
InChIInChI=1S/C10H12OS2/c1-2-3-7(11)9-6-10-8(13-9)4-5-12-10/h4-7,11H,2-3H2,1H3
InChIKeyBCRCSEBAEONGIQ-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
CID 115830002
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
1-thieno[3,2-b]thiophen-5-ylbutylhydrazine
CID 105282348
1-thieno[3,2-b]thiophen-5-ylundecan-1-amine
CID 115846032
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 115826177
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
N-methyl-1-thieno[3,2-b]thiophen-5-ylnonan-1-amine
CID 115835455
2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 107894377
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80738896
4-ethylsulfonyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104986246
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol?
The IUPAC name of 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol (CID 115780945) is 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol.
What is the SMILES notation for 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol?
The canonical SMILES for 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol is CCCC(O)c1cc2sccc2s1.
What is the InChIKey of 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol?
The InChIKey is BCRCSEBAEONGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS2/c1-2-3-7(11)9-6-10-8(13-9)4-5-12-10/h4-7,11H,2-3H2,1H3.
What are the key properties of 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol?
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]thiophen-5-ylbutan-1-ol is sourced from PubChem (CID 115780945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).