Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate
TL;DR: Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate (CAS 380348-30-1) is a chemical compound with molecular formula C15H12N2S3 and molecular weight 316.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylimino-1,3-benzothiazole-3-carbodithioate
Also Known As: methyl 2-phenylimino-1,3-benzothiazole-3-carbodithioate, methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate, methylthio[2-(phenylazamethylene)(3-hydrobenzothiazol-3-yl)]methane-1-thione
| Molecular Formula | C15H12N2S3 |
|---|---|
| Molecular Weight | 316.02 g/mol |
| LogP | 4.4312 |
| Topological Polar Surface Area | 17.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.01627 |
| Heavy Atoms | 20 |
| Complexity | 815.75586 |
Chemical Identifiers
| CAS Number | 380348-30-1 |
|---|---|
| SMILES | CSC(=S)N1C2=CC=CC=C2SC1=NC3=CC=CC=C3 |
Product Overview
Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate (CAS 380348-30-1), with molecular formula C15H12N2S3 and molecular weight 316.02 g/mol. IUPAC: methyl 2-phenylimino-1,3-benzothiazole-3-carbodithioate.
Chemical Property Profile of Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate
Property Insights of Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate
The XLogP value of 4.4312 indicates that Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.29 Ų, Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate has 0 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 Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate?
The CAS number of Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate is 380348-30-1.
What is the molecular formula of Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate?
The molecular formula of Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate is C15H12N2S3.
What is the molecular weight of Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate?
The molecular weight of Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate is 316.02 g/mol.
Where can I buy Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate?
You can request a quote for Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(phenylimino)-2,3-dihydro-1,3-benzothiazole-3-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.