Naphthalen-1-ylmethylsulfanylmethanimidamide
TL;DR: Naphthalen-1-ylmethylsulfanylmethanimidamide (CAS 5254-85-3) is a chemical compound with molecular formula C12H12N2S and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-ylmethyl carbamimidothioate
Also Known As: 2-(1-naphthylmethyl)isothiourea, 2-(1-Naphthylmethyl)-2-thiopseudourea, naphthalen-1-ylmethyl carbamimidothioate, NAPHTHALEN-1-YLMETHYLSULFANYLMETHANIMIDAMIDE, (Naphthalen-1-yl)methyl carbamimidothioate
| Molecular Formula | C12H12N2S |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07211 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5254-85-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CSC(=N)N |
| InChIKey | SHGHJFRHODQTAY-UHFFFAOYSA-N |
Product Overview
Naphthalen-1-ylmethylsulfanylmethanimidamide (CAS 5254-85-3), with molecular formula C12H12N2S and molecular weight 216.07 g/mol. IUPAC: naphthalen-1-ylmethyl carbamimidothioate.
Chemical Property Profile of Naphthalen-1-ylmethylsulfanylmethanimidamide
Property Insights of Naphthalen-1-ylmethylsulfanylmethanimidamide
The XLogP value of 3.0 indicates that Naphthalen-1-ylmethylsulfanylmethanimidamide 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 Naphthalen-1-ylmethylsulfanylmethanimidamide. Following Lipinski's Rule of Five, Naphthalen-1-ylmethylsulfanylmethanimidamide 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 Naphthalen-1-ylmethylsulfanylmethanimidamide?
The CAS number of Naphthalen-1-ylmethylsulfanylmethanimidamide is 5254-85-3.
What is the molecular formula of Naphthalen-1-ylmethylsulfanylmethanimidamide?
The molecular formula of Naphthalen-1-ylmethylsulfanylmethanimidamide is C12H12N2S.
What is the molecular weight of Naphthalen-1-ylmethylsulfanylmethanimidamide?
The molecular weight of Naphthalen-1-ylmethylsulfanylmethanimidamide is 216.07 g/mol.
Where can I buy Naphthalen-1-ylmethylsulfanylmethanimidamide?
You can request a quote for Naphthalen-1-ylmethylsulfanylmethanimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-ylmethylsulfanylmethanimidamide?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-ylmethylsulfanylmethanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.