Carbazic acid, 2-phenyldithio-, methyl ester
TL;DR: Carbazic acid, 2-phenyldithio-, methyl ester (CAS 50878-38-1) is a chemical compound with molecular formula C8H10N2S2 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-amino-N-phenylcarbamodithioate
Also Known As: Methyl 1-phenylhydrazinecarbodithioate, methyl N-amino-N-phenylcarbamodithioate, 2-Phenyldithiocarbazic acid methyl ester, Methyl 1-phenylhydrazinecarbodithioate #, Carbazic acid, 2-phenyldithio-, methyl ester
| Molecular Formula | C8H10N2S2 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.02853 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 50878-38-1 |
|---|---|
| SMILES | CSC(=S)N(C1=CC=CC=C1)N |
| InChIKey | GQNVUPCGNGAPNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbazic acid, 2-phenyldithio-, methyl ester (CAS 50878-38-1), with molecular formula C8H10N2S2 and molecular weight 198.03 g/mol. IUPAC: methyl N-amino-N-phenylcarbamodithioate.
Chemical Property Profile of Carbazic acid, 2-phenyldithio-, methyl ester
Property Insights of Carbazic acid, 2-phenyldithio-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbazic acid, 2-phenyldithio-, methyl ester. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbazic acid, 2-phenyldithio-, methyl ester. Following Lipinski's Rule of Five, Carbazic acid, 2-phenyldithio-, methyl ester 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 Carbazic acid, 2-phenyldithio-, methyl ester?
The CAS number of Carbazic acid, 2-phenyldithio-, methyl ester is 50878-38-1.
What is the molecular formula of Carbazic acid, 2-phenyldithio-, methyl ester?
The molecular formula of Carbazic acid, 2-phenyldithio-, methyl ester is C8H10N2S2.
What is the molecular weight of Carbazic acid, 2-phenyldithio-, methyl ester?
The molecular weight of Carbazic acid, 2-phenyldithio-, methyl ester is 198.03 g/mol.
Where can I buy Carbazic acid, 2-phenyldithio-, methyl ester?
You can request a quote for Carbazic acid, 2-phenyldithio-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbazic acid, 2-phenyldithio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbazic acid, 2-phenyldithio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.