![2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide structure](/static/products/4740/474004-67-6.webp)
2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
TL;DR: 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide (CAS 474004-67-6) is a chemical compound with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
Also Known As: AB00116310-01, 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide, AF-399/41049313, N-(2-methylbenzoyl)-N'-(2-oxotetrahydro-3-thienyl)thiourea, 2-methyl-N-[(2-oxotetrahydrothiophen-3-yl)carbamothioyl]benzamide
| Molecular Formula | C13H14N2O2S2 |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 1.63142 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.04968 |
| Heavy Atoms | 19 |
| Complexity | 531.12946 |
Chemical Identifiers
| CAS Number | 474004-67-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(=S)NC2CCSC2=O |
Product Overview
2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide (CAS 474004-67-6), with molecular formula C13H14N2O2S2 and molecular weight 294.05 g/mol. IUPAC: 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide.
Chemical Property Profile of 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
Property Insights of 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide
The XLogP value of 1.63142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide. With a topological polar surface area (TPSA) of 58.2 Ų, 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide has 2 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 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
The CAS number of 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide is 474004-67-6.
What is the molecular formula of 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
The molecular formula of 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide is C13H14N2O2S2.
What is the molecular weight of 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
The molecular weight of 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide is 294.05 g/mol.
Where can I buy 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
You can request a quote for 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.