2-Amino-4,5-dimethyl-thiophene-3-carbonitrile
TL;DR: 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile (CAS 700355-08-4) is a chemical compound with molecular formula C7H8N2S and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5-dimethylthiophene-3-carbonitrile
Also Known As: 2-amino-4,5-dimethylthiophene-3-carbonitrile, 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile, 2-amino-4,5-dimethylthiophen-3-carbonitril, 2-Amino-3-cyano-4,5-dimethylthiophene, 2-amino-4,5-dimethyl-3-thiophenecarbonitrile
| Molecular Formula | C7H8N2S |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.04082 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 700355-08-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N)C |
| InChIKey | DTDMOFLHHZZNFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,5-dimethyl-thiophene-3-carbonitrile (CAS 700355-08-4), with molecular formula C7H8N2S and molecular weight 152.04 g/mol. IUPAC: 2-amino-4,5-dimethylthiophene-3-carbonitrile.
Chemical Property Profile of 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile
Property Insights of 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile 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-Amino-4,5-dimethyl-thiophene-3-carbonitrile?
The CAS number of 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile is 700355-08-4.
What is the molecular formula of 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile?
The molecular formula of 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile is C7H8N2S.
What is the molecular weight of 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile?
The molecular weight of 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile is 152.04 g/mol.
Where can I buy 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile?
You can request a quote for 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,5-dimethyl-thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.