Benzenecarbothioamide, N-((methylamino)thioxomethyl)-
TL;DR: Benzenecarbothioamide, N-((methylamino)thioxomethyl)- (CAS 79009-28-2) is a chemical compound with molecular formula C9H10N2S2 and molecular weight 210.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(methylcarbamothioyl)benzenecarbothioamide
Also Known As: Styryldehydroalanine, N-(methylcarbamothioyl)benzenecarbothioamide, Benzenecarbothioamide, N-((methylamino)thioxomethyl)-
| Molecular Formula | C9H10N2S2 |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 1.456 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.02853 |
| Heavy Atoms | 13 |
| Complexity | 308.65054 |
Chemical Identifiers
| CAS Number | 79009-28-2 |
|---|---|
| SMILES | CNC(=S)NC(=S)C1=CC=CC=C1 |
Product Overview
Benzenecarbothioamide, N-((methylamino)thioxomethyl)- (CAS 79009-28-2), with molecular formula C9H10N2S2 and molecular weight 210.03 g/mol. IUPAC: N-(methylcarbamothioyl)benzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, N-((methylamino)thioxomethyl)-
Property Insights of Benzenecarbothioamide, N-((methylamino)thioxomethyl)-
The XLogP value of 1.456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, N-((methylamino)thioxomethyl)-. With a topological polar surface area (TPSA) of 24.06 Ų, Benzenecarbothioamide, N-((methylamino)thioxomethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, N-((methylamino)thioxomethyl)- has 2 hydrogen bond donor(s) and 2 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 Benzenecarbothioamide, N-((methylamino)thioxomethyl)-?
The CAS number of Benzenecarbothioamide, N-((methylamino)thioxomethyl)- is 79009-28-2.
What is the molecular formula of Benzenecarbothioamide, N-((methylamino)thioxomethyl)-?
The molecular formula of Benzenecarbothioamide, N-((methylamino)thioxomethyl)- is C9H10N2S2.
What is the molecular weight of Benzenecarbothioamide, N-((methylamino)thioxomethyl)-?
The molecular weight of Benzenecarbothioamide, N-((methylamino)thioxomethyl)- is 210.03 g/mol.
Where can I buy Benzenecarbothioamide, N-((methylamino)thioxomethyl)-?
You can request a quote for Benzenecarbothioamide, N-((methylamino)thioxomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, N-((methylamino)thioxomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, N-((methylamino)thioxomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.