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2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one
TL;DR: 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one (CAS 1138-11-0) is a chemical compound with molecular formula C11H13NOS2 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one
Also Known As: 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one, (2E)-2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one, 2-[(butylsulfanyl)methylidene]-2h-thieno[3,2-b]pyrrol-3(4h)-one
| Molecular Formula | C11H13NOS2 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.04385 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 1138-11-0 |
|---|---|
| SMILES | CCCCSC=C1C(=O)C2=C(S1)C=CN2 |
| InChIKey | OBSRPACCEPLRRT-UHFFFAOYSA-N |
Product Overview
2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one (CAS 1138-11-0), with molecular formula C11H13NOS2 and molecular weight 239.04 g/mol. IUPAC: 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one.
Chemical Property Profile of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one
Property Insights of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one
The XLogP value of 3.2 indicates that 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one. Following Lipinski's Rule of Five, 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one?
The CAS number of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one is 1138-11-0.
What is the molecular formula of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one?
The molecular formula of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one is C11H13NOS2.
What is the molecular weight of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one?
The molecular weight of 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one is 239.04 g/mol.
Where can I buy 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one?
You can request a quote for 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.