2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1)
TL;DR: 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) (CAS 58888-46-3) is a chemical compound with molecular formula C13H18N2S2 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepane;3H-1,3-benzothiazole-2-thione
Also Known As: azepane;3H-1,3-benzothiazole-2-thione, 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1), azepane; 3H-1,3-benzothiazole-2-thione, 1,3-Benzothiazole-2(3H)-thione--azepane (1/1), RefChem:80465
| Molecular Formula | C13H18N2S2 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 4.10889 |
| Topological Polar Surface Area | 27.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.09116 |
| Heavy Atoms | 17 |
| Complexity | 445.43732 |
Chemical Identifiers
| CAS Number | 58888-46-3 |
|---|---|
| SMILES | C1CCCNCC1.C1=CC=C2C(=C1)NC(=S)S2 |
Product Overview
2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) (CAS 58888-46-3), with molecular formula C13H18N2S2 and molecular weight 266.09 g/mol. IUPAC: azepane;3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1)
Property Insights of 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1)
The XLogP value of 4.10889 indicates that 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.82 Ų, 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) 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 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1)?
The CAS number of 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) is 58888-46-3.
What is the molecular formula of 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1)?
The molecular formula of 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) is C13H18N2S2.
What is the molecular weight of 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1)?
The molecular weight of 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) is 266.09 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1)?
You can request a quote for 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (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 hexahydro-1H-azepine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, compd. with hexahydro-1H-azepine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.