methyl N-(benzylideneamino)carbamodithioate
TL;DR: methyl N-(benzylideneamino)carbamodithioate (CAS 7484-46-0) 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.
methyl N-(benzylideneamino)carbamodithioate
Also Known As: NCI60_004223, methyl N-(benzylideneamino)carbamodithioate, methyl N-[(E)-benzylideneamino]carbamodithioate
| Molecular Formula | C9H10N2S2 |
|---|---|
| Molecular Weight | 210.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.02853 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 7484-46-0 |
|---|---|
| SMILES | CSC(=S)NN=CC1=CC=CC=C1 |
| InChIKey | MMUTYUKAZPZJBM-UHFFFAOYSA-N |
Product Overview
methyl N-(benzylideneamino)carbamodithioate (CAS 7484-46-0), with molecular formula C9H10N2S2 and molecular weight 210.03 g/mol. IUPAC: methyl N-(benzylideneamino)carbamodithioate.
Chemical Property Profile of methyl N-(benzylideneamino)carbamodithioate
Property Insights of methyl N-(benzylideneamino)carbamodithioate
The XLogP value of 3.4 indicates that methyl N-(benzylideneamino)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(benzylideneamino)carbamodithioate. Following Lipinski's Rule of Five, methyl N-(benzylideneamino)carbamodithioate has 1 hydrogen bond donor(s) and 3 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 methyl N-(benzylideneamino)carbamodithioate?
The CAS number of methyl N-(benzylideneamino)carbamodithioate is 7484-46-0.
What is the molecular formula of methyl N-(benzylideneamino)carbamodithioate?
The molecular formula of methyl N-(benzylideneamino)carbamodithioate is C9H10N2S2.
What is the molecular weight of methyl N-(benzylideneamino)carbamodithioate?
The molecular weight of methyl N-(benzylideneamino)carbamodithioate is 210.03 g/mol.
Where can I buy methyl N-(benzylideneamino)carbamodithioate?
You can request a quote for methyl N-(benzylideneamino)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(benzylideneamino)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(benzylideneamino)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.