Benzaldehyde-2-methyl-thiosemicarbazone
TL;DR: Benzaldehyde-2-methyl-thiosemicarbazone (CAS 2613-10-7) is a chemical compound with molecular formula C9H11N3S and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzylideneamino)-1-methylthiourea
Also Known As: benzaldehyde-2-methyl-thiosemicarbazone, 1-(benzylideneamino)-1-methylthiourea, 1-methyl-1-[(phenylmethylidene)amino]thiourea, 2-Benzylidene-1-methylhydrazine-1-carboximidothioic acid, Hydrazinecarbothioamide, 1-methyl-2-(phenylmethylene)-
| Molecular Formula | C9H11N3S |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.1959 |
| Topological Polar Surface Area | 41.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.06737 |
| Heavy Atoms | 13 |
| Complexity | 307.89566 |
Chemical Identifiers
| CAS Number | 2613-10-7 |
|---|---|
| SMILES | CN(C(=S)N)N=CC1=CC=CC=C1 |
Product Overview
Benzaldehyde-2-methyl-thiosemicarbazone (CAS 2613-10-7), with molecular formula C9H11N3S and molecular weight 193.07 g/mol. IUPAC: 1-(benzylideneamino)-1-methylthiourea.
Chemical Property Profile of Benzaldehyde-2-methyl-thiosemicarbazone
Property Insights of Benzaldehyde-2-methyl-thiosemicarbazone
The XLogP value of 1.1959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde-2-methyl-thiosemicarbazone. With a topological polar surface area (TPSA) of 41.62 Ų, Benzaldehyde-2-methyl-thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde-2-methyl-thiosemicarbazone has 1 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 Benzaldehyde-2-methyl-thiosemicarbazone?
The CAS number of Benzaldehyde-2-methyl-thiosemicarbazone is 2613-10-7.
What is the molecular formula of Benzaldehyde-2-methyl-thiosemicarbazone?
The molecular formula of Benzaldehyde-2-methyl-thiosemicarbazone is C9H11N3S.
What is the molecular weight of Benzaldehyde-2-methyl-thiosemicarbazone?
The molecular weight of Benzaldehyde-2-methyl-thiosemicarbazone is 193.07 g/mol.
Where can I buy Benzaldehyde-2-methyl-thiosemicarbazone?
You can request a quote for Benzaldehyde-2-methyl-thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde-2-methyl-thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde-2-methyl-thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.