1-Benzoyl-4-methyl-3-thiosemicarbazide
TL;DR: 1-Benzoyl-4-methyl-3-thiosemicarbazide (CAS 58064-65-6) is a chemical compound with molecular formula C9H11N3OS and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzamido-3-methylthiourea
Also Known As: N-[(methylcarbamothioyl)amino]benzamide, 1-benzamido-3-methylthiourea, 2-BENZOYL-N-METHYLHYDRAZINECARBOTHIOAMIDE, BUTTPARK 58\40-77, 1-Benzoyl-4-methylthiosemicarbazide
| Molecular Formula | C9H11N3OS |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 0.4253 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.06229 |
| Heavy Atoms | 14 |
| Complexity | 326.08878 |
Chemical Identifiers
| CAS Number | 58064-65-6 |
|---|---|
| SMILES | CNC(=S)NNC(=O)C1=CC=CC=C1 |
Product Overview
1-Benzoyl-4-methyl-3-thiosemicarbazide (CAS 58064-65-6), with molecular formula C9H11N3OS and molecular weight 209.06 g/mol. IUPAC: 1-benzamido-3-methylthiourea.
Chemical Property Profile of 1-Benzoyl-4-methyl-3-thiosemicarbazide
Property Insights of 1-Benzoyl-4-methyl-3-thiosemicarbazide
The XLogP value of 0.4253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-4-methyl-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 53.16 Ų, 1-Benzoyl-4-methyl-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-4-methyl-3-thiosemicarbazide has 3 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 1-Benzoyl-4-methyl-3-thiosemicarbazide?
The CAS number of 1-Benzoyl-4-methyl-3-thiosemicarbazide is 58064-65-6.
What is the molecular formula of 1-Benzoyl-4-methyl-3-thiosemicarbazide?
The molecular formula of 1-Benzoyl-4-methyl-3-thiosemicarbazide is C9H11N3OS.
What is the molecular weight of 1-Benzoyl-4-methyl-3-thiosemicarbazide?
The molecular weight of 1-Benzoyl-4-methyl-3-thiosemicarbazide is 209.06 g/mol.
Where can I buy 1-Benzoyl-4-methyl-3-thiosemicarbazide?
You can request a quote for 1-Benzoyl-4-methyl-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-4-methyl-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-4-methyl-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.