Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate
TL;DR: Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate (CAS 387361-80-0) is a chemical compound with molecular formula C9H11N3S3 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(phenylcarbamothioylamino)carbamodithioate
Also Known As: SALOR-INT L496170-1EA, LABOTEST-BB LT00408918, methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate, methyl N-(phenylcarbamothioylamino)carbamodithioate, 3-phenylthiocarbamoyl-dithiocarbazic acid methyl ester
| Molecular Formula | C9H11N3S3 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 2.1255 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.0115 |
| Heavy Atoms | 15 |
| Complexity | 339.71564 |
Chemical Identifiers
| CAS Number | 387361-80-0 |
|---|---|
| SMILES | CSC(=S)NNC(=S)NC1=CC=CC=C1 |
Product Overview
Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate (CAS 387361-80-0), with molecular formula C9H11N3S3 and molecular weight 257.01 g/mol. IUPAC: methyl N-(phenylcarbamothioylamino)carbamodithioate.
Chemical Property Profile of Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate
Property Insights of Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate
The XLogP value of 2.1255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate. With a topological polar surface area (TPSA) of 36.09 Ų, Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate has 3 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 2-(anilinocarbothioyl)hydrazinecarbodithioate?
The CAS number of Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate is 387361-80-0.
What is the molecular formula of Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate?
The molecular formula of Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate is C9H11N3S3.
What is the molecular weight of Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate?
The molecular weight of Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate is 257.01 g/mol.
Where can I buy Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate?
You can request a quote for Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(anilinocarbothioyl)hydrazinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.