Methyl 3-(P-toluoyl)-dithiocarbazate
TL;DR: Methyl 3-(P-toluoyl)-dithiocarbazate (CAS 15095-40-6) is a chemical compound with molecular formula C10H12N2OS2 and molecular weight 240.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(4-methylbenzoyl)amino]carbamodithioate
Also Known As: METHYL 3-(P-TOLUOYL)-DITHIOCARBAZATE, methyl N-[(4-methylbenzoyl)amino]carbamodithioate, Methyl 2-(4-methylbenzoyl)hydrazine-1-carbodithioate, 654-025-2, RefChem:815056
| Molecular Formula | C10H12N2OS2 |
|---|---|
| Molecular Weight | 240.04 g/mol |
| LogP | 1.87732 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.03911 |
| Heavy Atoms | 15 |
| Complexity | 362.19006 |
Chemical Identifiers
| CAS Number | 15095-40-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NNC(=S)SC |
Product Overview
Methyl 3-(P-toluoyl)-dithiocarbazate (CAS 15095-40-6), with molecular formula C10H12N2OS2 and molecular weight 240.04 g/mol. IUPAC: methyl N-[(4-methylbenzoyl)amino]carbamodithioate.
Chemical Property Profile of Methyl 3-(P-toluoyl)-dithiocarbazate
Property Insights of Methyl 3-(P-toluoyl)-dithiocarbazate
The XLogP value of 1.87732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(P-toluoyl)-dithiocarbazate. With a topological polar surface area (TPSA) of 41.13 Ų, Methyl 3-(P-toluoyl)-dithiocarbazate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(P-toluoyl)-dithiocarbazate 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 Methyl 3-(P-toluoyl)-dithiocarbazate?
The CAS number of Methyl 3-(P-toluoyl)-dithiocarbazate is 15095-40-6.
What is the molecular formula of Methyl 3-(P-toluoyl)-dithiocarbazate?
The molecular formula of Methyl 3-(P-toluoyl)-dithiocarbazate is C10H12N2OS2.
What is the molecular weight of Methyl 3-(P-toluoyl)-dithiocarbazate?
The molecular weight of Methyl 3-(P-toluoyl)-dithiocarbazate is 240.04 g/mol.
Where can I buy Methyl 3-(P-toluoyl)-dithiocarbazate?
You can request a quote for Methyl 3-(P-toluoyl)-dithiocarbazate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(P-toluoyl)-dithiocarbazate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(P-toluoyl)-dithiocarbazate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.