2-氨基-4-甲基噻吩-3-甲腈
TL;DR: 2-氨基-4-甲基噻吩-3-甲腈 (CAS 47109-05-7) is a chemical compound with molecular formula C6H6N2S and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-4-甲基噻吩-3-甲腈
2-amino-4-methylthiophene-3-carbonitrile
Also Known As: 2-amino-4-methylthiophene-3-carbonitrile, 2-Amino-3-cyano-5-methylthiophene, NCIOpen2_002047, 2-Amino-3-cyano-4-methylthiophene, 2-amino-4-methyl-3-thiophenecarbonitrile
| Molecular Formula | C6H6N2S |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.02516 |
| Heavy Atoms | 9 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 47109-05-7 |
|---|---|
| SMILES | CC1=CSC(=C1C#N)N |
| InChIKey | VVLPOLLOKMOHOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-4-甲基噻吩-3-甲腈 (CAS 47109-05-7), with molecular formula C6H6N2S and molecular weight 138.03 g/mol. IUPAC: 2-amino-4-methylthiophene-3-carbonitrile.
Chemical Property Profile of 2-氨基-4-甲基噻吩-3-甲腈
Property Insights of 2-氨基-4-甲基噻吩-3-甲腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-4-甲基噻吩-3-甲腈. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-4-甲基噻吩-3-甲腈. Following Lipinski's Rule of Five, 2-氨基-4-甲基噻吩-3-甲腈 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-氨基-4-甲基噻吩-3-甲腈?
The CAS number of 2-氨基-4-甲基噻吩-3-甲腈 is 47109-05-7.
What is the molecular formula of 2-氨基-4-甲基噻吩-3-甲腈?
The molecular formula of 2-氨基-4-甲基噻吩-3-甲腈 is C6H6N2S.
What is the molecular weight of 2-氨基-4-甲基噻吩-3-甲腈?
The molecular weight of 2-氨基-4-甲基噻吩-3-甲腈 is 138.03 g/mol.
Where can I buy 2-氨基-4-甲基噻吩-3-甲腈?
You can request a quote for 2-氨基-4-甲基噻吩-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-4-甲基噻吩-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-4-甲基噻吩-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.