Benzothiazole, 5-amino-2-methyl-, dihydrochloride
TL;DR: Benzothiazole, 5-amino-2-methyl-, dihydrochloride (CAS 32770-99-3) is a chemical compound with molecular formula C8H10Cl2N2S and molecular weight 235.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1,3-benzothiazol-3-ium-5-yl)azanium dichloride
Also Known As: 5-Amino-2-methylbenzothiazole dihydrochloride, 2-Methylbenzothiazol-5-ylamine dihydrochloride, BENZOTHIAZOLE, 5-AMINO-2-METHYL-, DIHYDROCHLORIDE, (2-methyl-1,3-benzothiazol-3-ium-5-yl)azanium dichloride, EINECS 251-204-3
| Molecular Formula | C8H10Cl2N2S |
|---|---|
| Molecular Weight | 235.99 g/mol |
| LogP | -5.09 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.99417 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 32770-99-3 |
|---|---|
| SMILES | CC1=[NH+]C2=C(S1)C=CC(=C2)[NH3+].[Cl-].[Cl-] |
| InChIKey | ZNIGVBCUUZGYDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazole, 5-amino-2-methyl-, dihydrochloride (CAS 32770-99-3), with molecular formula C8H10Cl2N2S and molecular weight 235.99 g/mol. IUPAC: (2-methyl-1,3-benzothiazol-3-ium-5-yl)azanium dichloride.
Chemical Property Profile of Benzothiazole, 5-amino-2-methyl-, dihydrochloride
Property Insights of Benzothiazole, 5-amino-2-methyl-, dihydrochloride
The XLogP value of -5.09 indicates that Benzothiazole, 5-amino-2-methyl-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 5-amino-2-methyl-, dihydrochloride. Following Lipinski's Rule of Five, Benzothiazole, 5-amino-2-methyl-, dihydrochloride has 2 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 Benzothiazole, 5-amino-2-methyl-, dihydrochloride?
The CAS number of Benzothiazole, 5-amino-2-methyl-, dihydrochloride is 32770-99-3.
What is the molecular formula of Benzothiazole, 5-amino-2-methyl-, dihydrochloride?
The molecular formula of Benzothiazole, 5-amino-2-methyl-, dihydrochloride is C8H10Cl2N2S.
What is the molecular weight of Benzothiazole, 5-amino-2-methyl-, dihydrochloride?
The molecular weight of Benzothiazole, 5-amino-2-methyl-, dihydrochloride is 235.99 g/mol.
Where can I buy Benzothiazole, 5-amino-2-methyl-, dihydrochloride?
You can request a quote for Benzothiazole, 5-amino-2-methyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 5-amino-2-methyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 5-amino-2-methyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.