2(3H)-Benzothiazolimine, 3-phenyl-
TL;DR: 2(3H)-Benzothiazolimine, 3-phenyl- (CAS 46493-66-7) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,3-benzothiazol-2-imine
Also Known As: 2(3H)-Benzothiazolimine, 3-phenyl-, 2-imino-3-phenylbenzothiazoline, 3-phenyl-1,3-benzothiazol-2-imine, 3-PHENYL-2(3H)-BENZOTHIAZOLIMINE, 3-phenyl-1,3-benzothiazol-2(3H)-imine
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 46493-66-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3SC2=N |
| InChIKey | WMUQKQNUCODDCB-UHFFFAOYSA-N |
Product Overview
2(3H)-Benzothiazolimine, 3-phenyl- (CAS 46493-66-7), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 3-phenyl-1,3-benzothiazol-2-imine.
Chemical Property Profile of 2(3H)-Benzothiazolimine, 3-phenyl-
Property Insights of 2(3H)-Benzothiazolimine, 3-phenyl-
The XLogP value of 3.5 indicates that 2(3H)-Benzothiazolimine, 3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.4 Ų, 2(3H)-Benzothiazolimine, 3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolimine, 3-phenyl- has 1 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 2(3H)-Benzothiazolimine, 3-phenyl-?
The CAS number of 2(3H)-Benzothiazolimine, 3-phenyl- is 46493-66-7.
What is the molecular formula of 2(3H)-Benzothiazolimine, 3-phenyl-?
The molecular formula of 2(3H)-Benzothiazolimine, 3-phenyl- is C13H10N2S.
What is the molecular weight of 2(3H)-Benzothiazolimine, 3-phenyl-?
The molecular weight of 2(3H)-Benzothiazolimine, 3-phenyl- is 226.06 g/mol.
Where can I buy 2(3H)-Benzothiazolimine, 3-phenyl-?
You can request a quote for 2(3H)-Benzothiazolimine, 3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolimine, 3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolimine, 3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.