2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile
TL;DR: 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile (CAS 37123-75-4) is a chemical compound with molecular formula C8H8N2S2 and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile
Also Known As: 2-amino-4H,5H,7H-thieno[2,3-c]thiopyran-3-carbonitrile, 2-Amino-4,5-dihydro-7H-thieno[2,3-c]thiopyran-3-carbonitrile, J3.432.944C, 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile, 2-Amino-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carbonitrile
| Molecular Formula | C8H8N2S2 |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.0129 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 37123-75-4 |
|---|---|
| SMILES | C1CSCC2=C1C(=C(S2)N)C#N |
| InChIKey | FIVRDZOZCYROTQ-UHFFFAOYSA-N |
Product Overview
2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile (CAS 37123-75-4), with molecular formula C8H8N2S2 and molecular weight 196.01 g/mol. IUPAC: 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile.
Chemical Property Profile of 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile
Property Insights of 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile?
The CAS number of 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile is 37123-75-4.
What is the molecular formula of 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile?
The molecular formula of 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile is C8H8N2S2.
What is the molecular weight of 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile?
The molecular weight of 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile is 196.01 g/mol.
Where can I buy 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile?
You can request a quote for 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-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-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4H,5H,7H-thieno(2,3-c)thiopyran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.