(10-Methyl-9-anthryl)methyl imidothiocarbamate
TL;DR: (10-Methyl-9-anthryl)methyl imidothiocarbamate (CAS 59474-01-0) is a chemical compound with molecular formula C17H16N2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-methylanthracen-9-yl)methyl carbamimidothioate
Also Known As: XI011 cpd, NCIStruc1_001785, NCIStruc2_001799, (10-Methyl-9-anthryl)methyl imidothiocarbamate, NSC 146109 HYDROCHLORIDE
| Molecular Formula | C17H16N2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.10342 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 59474-01-0 |
|---|---|
| SMILES | CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N |
| InChIKey | HXWYHTMSLSSLAO-UHFFFAOYSA-N |
Product Overview
(10-Methyl-9-anthryl)methyl imidothiocarbamate (CAS 59474-01-0), with molecular formula C17H16N2S and molecular weight 280.10 g/mol. IUPAC: (10-methylanthracen-9-yl)methyl carbamimidothioate.
Chemical Property Profile of (10-Methyl-9-anthryl)methyl imidothiocarbamate
Property Insights of (10-Methyl-9-anthryl)methyl imidothiocarbamate
The XLogP value of 5.1 indicates that (10-Methyl-9-anthryl)methyl imidothiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (10-Methyl-9-anthryl)methyl imidothiocarbamate. Following Lipinski's Rule of Five, (10-Methyl-9-anthryl)methyl imidothiocarbamate has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (10-Methyl-9-anthryl)methyl imidothiocarbamate?
The CAS number of (10-Methyl-9-anthryl)methyl imidothiocarbamate is 59474-01-0.
What is the molecular formula of (10-Methyl-9-anthryl)methyl imidothiocarbamate?
The molecular formula of (10-Methyl-9-anthryl)methyl imidothiocarbamate is C17H16N2S.
What is the molecular weight of (10-Methyl-9-anthryl)methyl imidothiocarbamate?
The molecular weight of (10-Methyl-9-anthryl)methyl imidothiocarbamate is 280.10 g/mol.
Where can I buy (10-Methyl-9-anthryl)methyl imidothiocarbamate?
You can request a quote for (10-Methyl-9-anthryl)methyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10-Methyl-9-anthryl)methyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for (10-Methyl-9-anthryl)methyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.