thieno[3,2-b]thiophene-5-sulfonyl chloride

C6H3ClO2S3 — CID 155821947

IUPACthieno[3,2-b]thiophene-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2sccc2s1
InChIInChI=1S/C6H3ClO2S3/c7-12(8,9)6-3-5-4(11-6)1-2-10-5/h1-3H
InChIKeyBXAJDJLURXQMQM-UHFFFAOYSA-N
MW238.74 g/mol
LogP2.89
Rot. Bonds1

About thieno[3,2-b]thiophene-5-sulfonyl chloride

thieno[3,2-b]thiophene-5-sulfonyl chloride (PubChem CID 155821947) has the molecular formula C6H3ClO2S3 and a molecular weight of 238.74 g/mol. Its IUPAC name is thieno[3,2-b]thiophene-5-sulfonyl chloride.

Molecular Properties

Compound Namethieno[3,2-b]thiophene-5-sulfonyl chloride
PubChem CID155821947
Molecular FormulaC6H3ClO2S3
Molecular Weight238.74 g/mol
Exact Mass237.90
IUPAC Namethieno[3,2-b]thiophene-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2sccc2s1
InChIInChI=1S/C6H3ClO2S3/c7-12(8,9)6-3-5-4(11-6)1-2-10-5/h1-3H
InChIKeyBXAJDJLURXQMQM-UHFFFAOYSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]thiophene-5-sulfonyl chloride?
The IUPAC name of thieno[3,2-b]thiophene-5-sulfonyl chloride (CID 155821947) is thieno[3,2-b]thiophene-5-sulfonyl chloride.
What is the SMILES notation for thieno[3,2-b]thiophene-5-sulfonyl chloride?
The canonical SMILES for thieno[3,2-b]thiophene-5-sulfonyl chloride is O=S(=O)(Cl)c1cc2sccc2s1.
What is the InChIKey of thieno[3,2-b]thiophene-5-sulfonyl chloride?
The InChIKey is BXAJDJLURXQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClO2S3/c7-12(8,9)6-3-5-4(11-6)1-2-10-5/h1-3H.
What are the key properties of thieno[3,2-b]thiophene-5-sulfonyl chloride?
thieno[3,2-b]thiophene-5-sulfonyl chloride has a molecular weight of 238.74 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]thiophene-5-sulfonyl chloride is sourced from PubChem (CID 155821947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).