3-Amino-1,2-benzothiazole-6-carbonitrile
TL;DR: 3-Amino-1,2-benzothiazole-6-carbonitrile (CAS 613262-38-7) is a chemical compound with molecular formula C8H5N3S and molecular weight 175.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,2-benzothiazole-6-carbonitrile
Also Known As: 1,2-Benzisothiazole-6-carbonitrile, 3-amino-, 9-amino-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-4-carbonitrile
| Molecular Formula | C8H5N3S |
|---|---|
| Molecular Weight | 175.02 g/mol |
| LogP | 1.75018 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.02042 |
| Heavy Atoms | 12 |
| Complexity | 466.59796 |
Chemical Identifiers
| CAS Number | 613262-38-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)SN=C2N |
Product Overview
3-Amino-1,2-benzothiazole-6-carbonitrile (CAS 613262-38-7), with molecular formula C8H5N3S and molecular weight 175.02 g/mol. IUPAC: 3-amino-1,2-benzothiazole-6-carbonitrile.
Chemical Property Profile of 3-Amino-1,2-benzothiazole-6-carbonitrile
Property Insights of 3-Amino-1,2-benzothiazole-6-carbonitrile
The XLogP value of 1.75018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1,2-benzothiazole-6-carbonitrile. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1,2-benzothiazole-6-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-1,2-benzothiazole-6-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 3-Amino-1,2-benzothiazole-6-carbonitrile?
The CAS number of 3-Amino-1,2-benzothiazole-6-carbonitrile is 613262-38-7.
What is the molecular formula of 3-Amino-1,2-benzothiazole-6-carbonitrile?
The molecular formula of 3-Amino-1,2-benzothiazole-6-carbonitrile is C8H5N3S.
What is the molecular weight of 3-Amino-1,2-benzothiazole-6-carbonitrile?
The molecular weight of 3-Amino-1,2-benzothiazole-6-carbonitrile is 175.02 g/mol.
Where can I buy 3-Amino-1,2-benzothiazole-6-carbonitrile?
You can request a quote for 3-Amino-1,2-benzothiazole-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1,2-benzothiazole-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1,2-benzothiazole-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.