1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
TL;DR: 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) (CAS 77529-02-3) is a chemical compound with molecular formula C8H13ClN2S and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-1,3-benzothiazol-5-ylmethanamine;hydrochloride
Also Known As: 4,5,6,7-Tetrahydro-5-benzothiazolemethanamine hydrochloride, 5-Benzothiazolemethanamine, 4,5,6,7-tetrahydro-, hydrochloride, Aminomethyl-5 tetrahydro-4,5,6,7-benzo(d)thiazole chlorhydrate [French], Aminomethyl-5 tetrahydro-4,5,6,7-benzo(d)thiazole chlorhydrate, 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
| Molecular Formula | C8H13ClN2S |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.6285 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.0488 |
| Heavy Atoms | 12 |
| Complexity | 248.96083 |
Chemical Identifiers
| CAS Number | 77529-02-3 |
|---|---|
| SMILES | C1CC2=C(CC1CN)N=CS2.Cl |
Product Overview
1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) (CAS 77529-02-3), with molecular formula C8H13ClN2S and molecular weight 204.05 g/mol. IUPAC: 4,5,6,7-tetrahydro-1,3-benzothiazol-5-ylmethanamine;hydrochloride.
Chemical Property Profile of 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
Property Insights of 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)
The XLogP value of 1.6285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 38.91 Ų, 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) has 1 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 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)?
The CAS number of 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) is 77529-02-3.
What is the molecular formula of 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)?
The molecular formula of 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) is C8H13ClN2S.
What is the molecular weight of 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)?
The molecular weight of 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) is 204.05 g/mol.
Where can I buy 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)?
You can request a quote for 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-5-yl)methanamine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.