2-Amino-6-thiocyanato-1,3-benzothiazole
TL;DR: 2-Amino-6-thiocyanato-1,3-benzothiazole (CAS 7170-77-6) is a chemical compound with molecular formula C8H5N3S2 and molecular weight 206.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-1,3-benzothiazol-6-yl) thiocyanate
Also Known As: 6-Thiocyanatobenzo[d]thiazol-2-amine, 2-Amino-6-thiocyanobenzothiazole, 3-Coumaranone, 2-Amino-6-thiocyanatobenzothiazole, Thiocyanic acid, 2-amino-6-benzothiazolyl ester
| Molecular Formula | C8H5N3S2 |
|---|---|
| Molecular Weight | 206.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.9925 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 7170-77-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1SC#N)SC(=N2)N |
| InChIKey | FVNSRFMQXKMHTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-6-thiocyanato-1,3-benzothiazole (CAS 7170-77-6), with molecular formula C8H5N3S2 and molecular weight 206.99 g/mol. IUPAC: (2-amino-1,3-benzothiazol-6-yl) thiocyanate.
Chemical Property Profile of 2-Amino-6-thiocyanato-1,3-benzothiazole
Property Insights of 2-Amino-6-thiocyanato-1,3-benzothiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-thiocyanato-1,3-benzothiazole. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-6-thiocyanato-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-Amino-6-thiocyanato-1,3-benzothiazole has 1 hydrogen bond donor(s) and 5 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-6-thiocyanato-1,3-benzothiazole?
The CAS number of 2-Amino-6-thiocyanato-1,3-benzothiazole is 7170-77-6.
What is the molecular formula of 2-Amino-6-thiocyanato-1,3-benzothiazole?
The molecular formula of 2-Amino-6-thiocyanato-1,3-benzothiazole is C8H5N3S2.
What is the molecular weight of 2-Amino-6-thiocyanato-1,3-benzothiazole?
The molecular weight of 2-Amino-6-thiocyanato-1,3-benzothiazole is 206.99 g/mol.
Where can I buy 2-Amino-6-thiocyanato-1,3-benzothiazole?
You can request a quote for 2-Amino-6-thiocyanato-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-6-thiocyanato-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-6-thiocyanato-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.