Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester
TL;DR: Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester (CAS 67723-98-2) is a chemical compound with molecular formula C17H10N2OS3 and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl] benzenecarbothioate
Also Known As: 2-(2'-Benzoylmercapto-4'-thiazolyl)benzothiazole, Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester, O-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl] benzenecarbothioate, BRN 0832462, RefChem:324464
| Molecular Formula | C17H10N2OS3 |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 5.1743 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.9955 |
| Heavy Atoms | 23 |
| Complexity | 942.60846 |
Chemical Identifiers
| CAS Number | 67723-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)OC2=NC(=CS2)C3=NC4=CC=CC=C4S3 |
Product Overview
Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester (CAS 67723-98-2), with molecular formula C17H10N2OS3 and molecular weight 354.00 g/mol. IUPAC: O-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl] benzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester
Property Insights of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester
The XLogP value of 5.1743 indicates that Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
The CAS number of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is 67723-98-2.
What is the molecular formula of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
The molecular formula of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is C17H10N2OS3.
What is the molecular weight of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
The molecular weight of Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester is 354.00 g/mol.
Where can I buy Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
You can request a quote for Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, S-(4-(2-benzothiazolyl)-2-thiazolyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.