Benzothiazole, 2-(thioacetylamino)-
TL;DR: Benzothiazole, 2-(thioacetylamino)- (CAS 38912-41-3) is a chemical compound with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)ethanethioamide
Also Known As: 2-thioacetamidobenzothiazole, Benzothiazole, 2-(thioacetylamino)-, Ethanethioamide,N-2-benzothiazolyl-, N-(1,3-Benzothiazol-2-yl)ethanethioamide, N-(benzo[d]thiazol-2-yl)ethanethioamide
| Molecular Formula | C9H8N2S2 |
|---|---|
| Molecular Weight | 208.01 g/mol |
| LogP | 3.0555 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.0129 |
| Heavy Atoms | 13 |
| Complexity | 414.56635 |
Chemical Identifiers
| CAS Number | 38912-41-3 |
|---|---|
| SMILES | CC(=S)NC1=NC2=CC=CC=C2S1 |
Product Overview
Benzothiazole, 2-(thioacetylamino)- (CAS 38912-41-3), with molecular formula C9H8N2S2 and molecular weight 208.01 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)ethanethioamide.
Chemical Property Profile of Benzothiazole, 2-(thioacetylamino)-
Property Insights of Benzothiazole, 2-(thioacetylamino)-
The XLogP value of 3.0555 indicates that Benzothiazole, 2-(thioacetylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, Benzothiazole, 2-(thioacetylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-(thioacetylamino)- has 1 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 Benzothiazole, 2-(thioacetylamino)-?
The CAS number of Benzothiazole, 2-(thioacetylamino)- is 38912-41-3.
What is the molecular formula of Benzothiazole, 2-(thioacetylamino)-?
The molecular formula of Benzothiazole, 2-(thioacetylamino)- is C9H8N2S2.
What is the molecular weight of Benzothiazole, 2-(thioacetylamino)-?
The molecular weight of Benzothiazole, 2-(thioacetylamino)- is 208.01 g/mol.
Where can I buy Benzothiazole, 2-(thioacetylamino)-?
You can request a quote for Benzothiazole, 2-(thioacetylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(thioacetylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(thioacetylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.