2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)
TL;DR: 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) (CAS 1320-95-2) is a chemical compound with molecular formula C13H18N2OS2 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,3-benzothiazole-2-thione;2,6-dimethylmorpholine
Also Known As: 2,6-Dimethylmorpholine 2-mercaptobenzothiazole, 2,6-Dimethylmorpholine benzothiazolethiolate, 2,6-DIMETHYLMORPHOLINE THIOBENZOTHIAZOLE, 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1), Benzothiazolethiol, compd. with 2,6-dimethylmorpholine
| Molecular Formula | C13H18N2OS2 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.34209 |
| Topological Polar Surface Area | 37.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.08606 |
| Heavy Atoms | 18 |
| Complexity | 504.91486 |
Chemical Identifiers
| CAS Number | 1320-95-2 |
|---|---|
| SMILES | CC1CNCC(O1)C.C1=CC=C2C(=C1)NC(=S)S2 |
Product Overview
2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) (CAS 1320-95-2), with molecular formula C13H18N2OS2 and molecular weight 282.09 g/mol. IUPAC: 3H-1,3-benzothiazole-2-thione;2,6-dimethylmorpholine.
Chemical Property Profile of 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)
Property Insights of 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)
The XLogP value of 3.34209 indicates that 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.05 Ų, 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) has 2 hydrogen bond donor(s) and 4 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)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)?
The CAS number of 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) is 1320-95-2.
What is the molecular formula of 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)?
The molecular formula of 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) is C13H18N2OS2.
What is the molecular weight of 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)?
The molecular weight of 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) is 282.09 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)?
You can request a quote for 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, compd. with 2,6-dimethylmorpholine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.