3-噻吩亚甲基丙二腈
TL;DR: 3-噻吩亚甲基丙二腈 (CAS 101756-40-5) is a chemical compound with molecular formula C8H4N2S and molecular weight 160.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-噻吩亚甲基丙二腈
2-(thiophen-3-ylmethylidene)propanedinitrile
Also Known As: (2-Thenylidene)malononitrile, MALONONITRILE, (3-THENYLIDENE)-, 3-Thenylidenemalononitrile, (3-Thienyl)methylidenemalononitrile, 2-(thiophen-3-ylmethylidene)propanedinitrile
| Molecular Formula | C8H4N2S |
|---|---|
| Molecular Weight | 160.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.00952 |
| Heavy Atoms | 11 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 101756-40-5 |
|---|---|
| SMILES | C1=CSC=C1C=C(C#N)C#N |
| InChIKey | ZKWANBRFSVNZTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-噻吩亚甲基丙二腈 (CAS 101756-40-5), with molecular formula C8H4N2S and molecular weight 160.01 g/mol. IUPAC: 2-(thiophen-3-ylmethylidene)propanedinitrile.
Chemical Property Profile of 3-噻吩亚甲基丙二腈
Property Insights of 3-噻吩亚甲基丙二腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-噻吩亚甲基丙二腈. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-噻吩亚甲基丙二腈. Following Lipinski's Rule of Five, 3-噻吩亚甲基丙二腈 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-噻吩亚甲基丙二腈?
The CAS number of 3-噻吩亚甲基丙二腈 is 101756-40-5.
What is the molecular formula of 3-噻吩亚甲基丙二腈?
The molecular formula of 3-噻吩亚甲基丙二腈 is C8H4N2S.
What is the molecular weight of 3-噻吩亚甲基丙二腈?
The molecular weight of 3-噻吩亚甲基丙二腈 is 160.01 g/mol.
Where can I buy 3-噻吩亚甲基丙二腈?
You can request a quote for 3-噻吩亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-噻吩亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 3-噻吩亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.