2-(Methylamino)ethyl carbamimidothioate
TL;DR: 2-(Methylamino)ethyl carbamimidothioate (CAS 36112-91-1) is a chemical compound with molecular formula C4H11N3S and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(methylamino)ethyl carbamimidothioate
Also Known As: 2-(2-Methylamino-ethyl)-isothiourea, 2-(methylamino)ethyl carbamimidothioate, 2-methylaminoethylsulfanylmethanimidamide
| Molecular Formula | C4H11N3S |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 133.06737 |
| Heavy Atoms | 8 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 36112-91-1 |
|---|---|
| SMILES | CNCCSC(=N)N |
| InChIKey | KXBXHXMCXDDAFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylamino)ethyl carbamimidothioate (CAS 36112-91-1), with molecular formula C4H11N3S and molecular weight 133.07 g/mol. IUPAC: 2-(methylamino)ethyl carbamimidothioate.
Chemical Property Profile of 2-(Methylamino)ethyl carbamimidothioate
Property Insights of 2-(Methylamino)ethyl carbamimidothioate
The XLogP value of -0.3 indicates that 2-(Methylamino)ethyl carbamimidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylamino)ethyl carbamimidothioate. Following Lipinski's Rule of Five, 2-(Methylamino)ethyl carbamimidothioate 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 2-(Methylamino)ethyl carbamimidothioate?
The CAS number of 2-(Methylamino)ethyl carbamimidothioate is 36112-91-1.
What is the molecular formula of 2-(Methylamino)ethyl carbamimidothioate?
The molecular formula of 2-(Methylamino)ethyl carbamimidothioate is C4H11N3S.
What is the molecular weight of 2-(Methylamino)ethyl carbamimidothioate?
The molecular weight of 2-(Methylamino)ethyl carbamimidothioate is 133.07 g/mol.
Where can I buy 2-(Methylamino)ethyl carbamimidothioate?
You can request a quote for 2-(Methylamino)ethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylamino)ethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylamino)ethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.