methyl N'-butylcarbamimidothioate
TL;DR: methyl N'-butylcarbamimidothioate (CAS 100319-67-3) is a chemical compound with molecular formula C6H14N2S and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-butylcarbamimidothioate
Also Known As: N-butyl-S-methyl-isothiourea, bicyclo{2.2.0}hexasilane, 1-Butyl-2-methyl-isothiourea, methyl N'-butylcarbamimidothioate, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE
| Molecular Formula | C6H14N2S |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.08777 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 100319-67-3 |
|---|---|
| SMILES | CCCCN=C(N)SC |
| InChIKey | WLIDQCHXBFDAKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N'-butylcarbamimidothioate (CAS 100319-67-3), with molecular formula C6H14N2S and molecular weight 146.09 g/mol. IUPAC: methyl N'-butylcarbamimidothioate.
Chemical Property Profile of methyl N'-butylcarbamimidothioate
Property Insights of methyl N'-butylcarbamimidothioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-butylcarbamimidothioate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-butylcarbamimidothioate. Following Lipinski's Rule of Five, methyl N'-butylcarbamimidothioate has 1 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 methyl N'-butylcarbamimidothioate?
The CAS number of methyl N'-butylcarbamimidothioate is 100319-67-3.
What is the molecular formula of methyl N'-butylcarbamimidothioate?
The molecular formula of methyl N'-butylcarbamimidothioate is C6H14N2S.
What is the molecular weight of methyl N'-butylcarbamimidothioate?
The molecular weight of methyl N'-butylcarbamimidothioate is 146.09 g/mol.
Where can I buy methyl N'-butylcarbamimidothioate?
You can request a quote for methyl N'-butylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-butylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-butylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.