![[(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile structure](/static/products/325/325831-64-9.png)
[(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile
TL;DR: [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile (CAS 325831-64-9) is a chemical compound with molecular formula C12H5ClN2S and molecular weight 243.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile
Also Known As: BAS 06104947, 2-[(3-chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile, 2-((3-chlorobenzo[b]thiophen-2-yl)methylene)malononitrile, 2-(3-Chloro-benzo[b]thiophen-2-ylmethylene)-malononitrile, [(3-chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile
| Molecular Formula | C12H5ClN2S |
|---|---|
| Molecular Weight | 243.99 g/mol |
| LogP | 3.98526 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.98619 |
| Heavy Atoms | 16 |
| Complexity | 639.6891 |
Chemical Identifiers
| CAS Number | 325831-64-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=C(C#N)C#N)Cl |
Product Overview
[(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile (CAS 325831-64-9), with molecular formula C12H5ClN2S and molecular weight 243.99 g/mol. IUPAC: 2-[(3-chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile
Property Insights of [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile
The XLogP value of 3.98526 indicates that [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile has 0 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 [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile?
The CAS number of [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile is 325831-64-9.
What is the molecular formula of [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile?
The molecular formula of [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile is C12H5ClN2S.
What is the molecular weight of [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile?
The molecular weight of [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile is 243.99 g/mol.
Where can I buy [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile?
You can request a quote for [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [(3-Chloro-1-benzothiophen-2-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.