3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide
TL;DR: 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide (CAS 130997-66-9) is a chemical compound with molecular formula C12H12BrF3N2OS and molecular weight 367.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclopropylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrobromide
Also Known As: 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide, 3- -6- benzothiazol-2-iminehydrobromide, 2(3H)-Benzothiazolimine, 3-(cyclopropylmethyl)-6-(trifluoromethoxy)-, monohydrobromide, 3-(Cyclopropylmethyl)-6-(trifluoromethoxy)-2(3H)-benzothiazolimine monohydrobromide, 3-(cyclopropylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine hydrobromide
| Molecular Formula | C12H12BrF3N2OS |
|---|---|
| Molecular Weight | 367.98 g/mol |
| LogP | 4.06877 |
| Topological Polar Surface Area | 38.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.9806 |
| Heavy Atoms | 20 |
| Complexity | 675.37274 |
Chemical Identifiers
| CAS Number | 130997-66-9 |
|---|---|
| SMILES | C1CC1CN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N.Br |
Product Overview
3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide (CAS 130997-66-9), with molecular formula C12H12BrF3N2OS and molecular weight 367.98 g/mol. IUPAC: 3-(cyclopropylmethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrobromide.
Chemical Property Profile of 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide
Property Insights of 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide
The XLogP value of 4.06877 indicates that 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.01 Ų, 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide 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 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide?
The CAS number of 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide is 130997-66-9.
What is the molecular formula of 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide?
The molecular formula of 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide is C12H12BrF3N2OS.
What is the molecular weight of 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide?
The molecular weight of 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide is 367.98 g/mol.
Where can I buy 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide?
You can request a quote for 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclopropylmethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.