3,4-Thiophenediacetonitrile, 2,5-dimethyl-
TL;DR: 3,4-Thiophenediacetonitrile, 2,5-dimethyl- (CAS 35147-97-8) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(cyanomethyl)-2,5-dimethylthiophen-3-yl]acetonitrile
Also Known As: 3,4-Thiophenediacetonitrile, 2,5-dimethyl-, 2,5-dimethyl-3,4-thiophenediacetonitrile, 2-[4-(cyanomethyl)-2,5-dimethylthiophen-3-yl]acetonitrile, 3,4-Bis-cyanmethyl-2,5-dimethyl-thiophen, [4-(cyanomethyl)-2,5-dimethylthien-3-yl]acetonitrile
| Molecular Formula | C10H10N2S |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.4971 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.05647 |
| Heavy Atoms | 13 |
| Complexity | 353.78284 |
Chemical Identifiers
| CAS Number | 35147-97-8 |
|---|---|
| SMILES | CC1=C(C(=C(S1)C)CC#N)CC#N |
Product Overview
3,4-Thiophenediacetonitrile, 2,5-dimethyl- (CAS 35147-97-8), with molecular formula C10H10N2S and molecular weight 190.06 g/mol. IUPAC: 2-[4-(cyanomethyl)-2,5-dimethylthiophen-3-yl]acetonitrile.
Chemical Property Profile of 3,4-Thiophenediacetonitrile, 2,5-dimethyl-
Property Insights of 3,4-Thiophenediacetonitrile, 2,5-dimethyl-
The XLogP value of 2.4971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Thiophenediacetonitrile, 2,5-dimethyl-. With a topological polar surface area (TPSA) of 47.58 Ų, 3,4-Thiophenediacetonitrile, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Thiophenediacetonitrile, 2,5-dimethyl- 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 3,4-Thiophenediacetonitrile, 2,5-dimethyl-?
The CAS number of 3,4-Thiophenediacetonitrile, 2,5-dimethyl- is 35147-97-8.
What is the molecular formula of 3,4-Thiophenediacetonitrile, 2,5-dimethyl-?
The molecular formula of 3,4-Thiophenediacetonitrile, 2,5-dimethyl- is C10H10N2S.
What is the molecular weight of 3,4-Thiophenediacetonitrile, 2,5-dimethyl-?
The molecular weight of 3,4-Thiophenediacetonitrile, 2,5-dimethyl- is 190.06 g/mol.
Where can I buy 3,4-Thiophenediacetonitrile, 2,5-dimethyl-?
You can request a quote for 3,4-Thiophenediacetonitrile, 2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Thiophenediacetonitrile, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Thiophenediacetonitrile, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.