2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid
TL;DR: 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid (CAS 2613-12-9) 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)-3-methylthiourea
Also Known As: 1-(benzylideneamino)-3-methylthiourea, 3-METHYL-1-[(PHENYLMETHYLIDENE)AMINO]THIOUREA, 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid
| Molecular Formula | C9H11N3S |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 1.1144 |
| Topological Polar Surface Area | 36.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.06737 |
| Heavy Atoms | 13 |
| Complexity | 294.98795 |
Chemical Identifiers
| CAS Number | 2613-12-9 |
|---|---|
| SMILES | CNC(=S)NN=CC1=CC=CC=C1 |
Product Overview
2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid (CAS 2613-12-9), with molecular formula C9H11N3S and molecular weight 193.07 g/mol. IUPAC: 1-(benzylideneamino)-3-methylthiourea.
Chemical Property Profile of 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid
Property Insights of 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid
The XLogP value of 1.1144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid. With a topological polar surface area (TPSA) of 36.42 Ų, 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid 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 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid?
The CAS number of 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid is 2613-12-9.
What is the molecular formula of 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid?
The molecular formula of 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid is C9H11N3S.
What is the molecular weight of 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid?
The molecular weight of 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid is 193.07 g/mol.
Where can I buy 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid?
You can request a quote for 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-N-methylhydrazine-1-carboximidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.