N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea
TL;DR: N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea (CAS 106580-89-6) is a chemical compound with molecular formula C9H10N4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-N'-(pyridin-3-ylmethyl)carbamimidothioate
Also Known As: Maybridge1_006072, RF 01964, N-pyrid-3-ylmethyl-N'-cyano-S -methylisothiourea, methyl n'-cyano-n-(3-pyridinylmethyl)imidothiocarbamate, methyl N-cyano-N'-(pyridin-3-ylmethyl)carbamimidothioate
| Molecular Formula | C9H10N4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.37128 |
| Topological Polar Surface Area | 61.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.06262 |
| Heavy Atoms | 14 |
| Complexity | 341.57962 |
Chemical Identifiers
| CAS Number | 106580-89-6 |
|---|---|
| SMILES | CSC(=NCC1=CN=CC=C1)NC#N |
Product Overview
N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea (CAS 106580-89-6), with molecular formula C9H10N4S and molecular weight 206.06 g/mol. IUPAC: methyl N-cyano-N'-(pyridin-3-ylmethyl)carbamimidothioate.
Chemical Property Profile of N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea
Property Insights of N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea
The XLogP value of 1.37128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea. The TPSA of 61.07 Ų falls within the moderate polarity range, balancing permeability and solubility for N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea. Following Lipinski's Rule of Five, N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea has 1 hydrogen bond donor(s) and 4 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 N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea?
The CAS number of N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea is 106580-89-6.
What is the molecular formula of N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea?
The molecular formula of N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea is C9H10N4S.
What is the molecular weight of N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea?
The molecular weight of N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea is 206.06 g/mol.
Where can I buy N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea?
You can request a quote for N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for N-pyrid-3-ylmethyl-N'-cyano-S-methylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.