![2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- structure](/static/products/7786/77860-11-8.webp)
2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-
TL;DR: 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- (CAS 77860-11-8) is a chemical compound with molecular formula C15H10N2S4 and molecular weight 345.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzothiazole-2-thione
Also Known As: 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-, 3-(benzothiazol-2-ylthiomethyl)-3-hydrobenzothiazole-2-thione, 3-((benzo[d]thiazol-2-ylthio)methyl)benzo[d]thiazole-2(3H)-thione, 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzothiazole-2-thione
| Molecular Formula | C15H10N2S4 |
|---|---|
| Molecular Weight | 345.97 g/mol |
| LogP | 5.79179 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.9727 |
| Heavy Atoms | 21 |
| Complexity | 946.8436 |
Chemical Identifiers
| CAS Number | 77860-11-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCN3C4=CC=CC=C4SC3=S |
Product Overview
2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- (CAS 77860-11-8), with molecular formula C15H10N2S4 and molecular weight 345.97 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzothiazole-2-thione.
Chemical Property Profile of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-
Property Insights of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-
The XLogP value of 5.79179 indicates that 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-?
The CAS number of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- is 77860-11-8.
What is the molecular formula of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-?
The molecular formula of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- is C15H10N2S4.
What is the molecular weight of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-?
The molecular weight of 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- is 345.97 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]-?
You can request a quote for 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- 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, 3-[(2-benzothiazolylthio)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, 3-[(2-benzothiazolylthio)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.