chloro(thieno[3,2-b]thiophen-5-yl)methanol

C7H5ClOS2 — CID 123645090

IUPACchloro(thieno[3,2-b]thiophen-5-yl)methanol
SMILESOC(Cl)c1cc2sccc2s1
InChIInChI=1S/C7H5ClOS2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,7,9H
InChIKeyIEPZJJBZELNIBK-UHFFFAOYSA-N
MW204.70 g/mol
LogP3.19
Rot. Bonds1

About chloro(thieno[3,2-b]thiophen-5-yl)methanol

chloro(thieno[3,2-b]thiophen-5-yl)methanol (PubChem CID 123645090) has the molecular formula C7H5ClOS2 and a molecular weight of 204.70 g/mol. Its IUPAC name is chloro(thieno[3,2-b]thiophen-5-yl)methanol.

Molecular Properties

Compound Namechloro(thieno[3,2-b]thiophen-5-yl)methanol
PubChem CID123645090
Molecular FormulaC7H5ClOS2
Molecular Weight204.70 g/mol
Exact Mass203.95
IUPAC Namechloro(thieno[3,2-b]thiophen-5-yl)methanol
SMILESOC(Cl)c1cc2sccc2s1
InChIInChI=1S/C7H5ClOS2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,7,9H
InChIKeyIEPZJJBZELNIBK-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloro(thieno[3,2-b]thiophen-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744829
1-thieno[3,2-b]thiophen-5-ylbutan-1-ol
CID 115780945
(4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745407
5-[chloro-(4-methylphenyl)methyl]thieno[3,2-b]thiophene
CID 80744734
5-methyl-1-thieno[3,2-b]thiophen-5-ylhexan-1-ol
CID 115830002
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
(5-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115807767
1-thieno[3,2-b]thiophen-5-yloctan-1-ol
CID 115783186
(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745410
2-(4-chloro-3-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanol
CID 107894377
6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 80738912

Frequently Asked Questions

What is the IUPAC name of chloro(thieno[3,2-b]thiophen-5-yl)methanol?
The IUPAC name of chloro(thieno[3,2-b]thiophen-5-yl)methanol (CID 123645090) is chloro(thieno[3,2-b]thiophen-5-yl)methanol.
What is the SMILES notation for chloro(thieno[3,2-b]thiophen-5-yl)methanol?
The canonical SMILES for chloro(thieno[3,2-b]thiophen-5-yl)methanol is OC(Cl)c1cc2sccc2s1.
What is the InChIKey of chloro(thieno[3,2-b]thiophen-5-yl)methanol?
The InChIKey is IEPZJJBZELNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClOS2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3,7,9H.
What are the key properties of chloro(thieno[3,2-b]thiophen-5-yl)methanol?
chloro(thieno[3,2-b]thiophen-5-yl)methanol has a molecular weight of 204.70 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(thieno[3,2-b]thiophen-5-yl)methanol is sourced from PubChem (CID 123645090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).