![3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide structure](/static/products/6809/680982-39-2.webp)
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
TL;DR: 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (CAS 680982-39-2) is a chemical compound with molecular formula C10H9ClN6OS and molecular weight 296.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
Also Known As: 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide, 3-chloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide, AP-970/42445641, N-(3-chlorobenzoyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea, 3-chloro-N-((2-methyl-2H-tetrazol-5-yl)carbamothioyl)benzamide
| Molecular Formula | C10H9ClN6OS |
|---|---|
| Molecular Weight | 296.02 g/mol |
| LogP | 0.9903 |
| Topological Polar Surface Area | 84.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.02472 |
| Heavy Atoms | 19 |
| Complexity | 627.98737 |
Chemical Identifiers
| CAS Number | 680982-39-2 |
|---|---|
| SMILES | CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl |
Product Overview
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide (CAS 680982-39-2), with molecular formula C10H9ClN6OS and molecular weight 296.02 g/mol. IUPAC: 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
Property Insights of 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
The XLogP value of 0.9903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide. The TPSA of 84.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 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 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The CAS number of 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is 680982-39-2.
What is the molecular formula of 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The molecular formula of 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is C10H9ClN6OS.
What is the molecular weight of 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
The molecular weight of 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide is 296.02 g/mol.
Where can I buy 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
You can request a quote for 3-chloro-N-[(2-methyltetrazol-5-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 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.