InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H
TL;DR: InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H (CAS 60230-92-4) is a chemical compound with molecular formula C7H9NS and molecular weight 139.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-1,2-benzothiazole
Also Known As: 4,5,6,7-tetrahydrobenzo[d]isothiazole, 4,5,6,7-tetrahydro-1,2-benzothiazole, 7-thia-8-azabicyclo[4.3.0]nona-8,10-diene, InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H
| Molecular Formula | C7H9NS |
|---|---|
| Molecular Weight | 139.05 g/mol |
| LogP | 2.0219 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.04558 |
| Heavy Atoms | 9 |
| Complexity | 183.936 |
Chemical Identifiers
| CAS Number | 60230-92-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C=NS2 |
Product Overview
InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H (CAS 60230-92-4), with molecular formula C7H9NS and molecular weight 139.05 g/mol. IUPAC: 4,5,6,7-tetrahydro-1,2-benzothiazole.
Chemical Property Profile of InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H
Property Insights of InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H
The XLogP value of 2.0219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H. With a topological polar surface area (TPSA) of 12.89 Ų, InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H has 0 hydrogen bond donor(s) and 2 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 InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H?
The CAS number of InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H is 60230-92-4.
What is the molecular formula of InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H?
The molecular formula of InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H is C7H9NS.
What is the molecular weight of InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H?
The molecular weight of InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H is 139.05 g/mol.
Where can I buy InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H?
You can request a quote for InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C7H9NS/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.