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N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide
TL;DR: N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide (CAS 61720-61-4) is a chemical compound with molecular formula C9H10N2O3S2 and molecular weight 258.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenecarbonothioyl)-3-methylsulfonylurea
Also Known As: 1-(benzenecarbonothioyl)-3-mesyl-urea, 1-(benzenecarbonothioyl)-3-methylsulfonylurea, N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide
| Molecular Formula | C9H10N2O3S2 |
|---|---|
| Molecular Weight | 258.01 g/mol |
| LogP | 0.6209 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.01328 |
| Heavy Atoms | 16 |
| Complexity | 496.7452 |
Chemical Identifiers
| CAS Number | 61720-61-4 |
|---|---|
| SMILES | CS(=O)(=O)NC(=O)NC(=S)C1=CC=CC=C1 |
Product Overview
N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide (CAS 61720-61-4), with molecular formula C9H10N2O3S2 and molecular weight 258.01 g/mol. IUPAC: 1-(benzenecarbonothioyl)-3-methylsulfonylurea.
Chemical Property Profile of N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide
Property Insights of N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide
The XLogP value of 0.6209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide. Following Lipinski's Rule of Five, N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide 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 N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide?
The CAS number of N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide is 61720-61-4.
What is the molecular formula of N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide?
The molecular formula of N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide is C9H10N2O3S2.
What is the molecular weight of N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide?
The molecular weight of N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide is 258.01 g/mol.
Where can I buy N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide?
You can request a quote for N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(Methanesulfonyl)carbamoyl]benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.