Carbamimidothioic acid, N,N-dimethyl-, methyl ester
TL;DR: Carbamimidothioic acid, N,N-dimethyl-, methyl ester (CAS 57618-94-7) is a chemical compound with molecular formula C4H10N2S and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N-dimethylcarbamimidothioate
Also Known As: N,N,S-trimethyl-isothiourea, 1,1,2-trimethylisothiourea, N,N-Dimethyl(methylsulfanyl)methanimidamide, methyl N,N-dimethylcarbamimidothioate, Carbamimidothioic acid, N,N-dimethyl-, methyl ester
| Molecular Formula | C4H10N2S |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 118.05647 |
| Heavy Atoms | 7 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 57618-94-7 |
|---|---|
| SMILES | CN(C)C(=N)SC |
| InChIKey | LUHZPAHUMZZFPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamimidothioic acid, N,N-dimethyl-, methyl ester (CAS 57618-94-7), with molecular formula C4H10N2S and molecular weight 118.06 g/mol. IUPAC: methyl N,N-dimethylcarbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid, N,N-dimethyl-, methyl ester
Property Insights of Carbamimidothioic acid, N,N-dimethyl-, methyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, N,N-dimethyl-, methyl ester. With a topological polar surface area (TPSA) of 52.4 Ų, Carbamimidothioic acid, N,N-dimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamimidothioic acid, N,N-dimethyl-, methyl ester 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 Carbamimidothioic acid, N,N-dimethyl-, methyl ester?
The CAS number of Carbamimidothioic acid, N,N-dimethyl-, methyl ester is 57618-94-7.
What is the molecular formula of Carbamimidothioic acid, N,N-dimethyl-, methyl ester?
The molecular formula of Carbamimidothioic acid, N,N-dimethyl-, methyl ester is C4H10N2S.
What is the molecular weight of Carbamimidothioic acid, N,N-dimethyl-, methyl ester?
The molecular weight of Carbamimidothioic acid, N,N-dimethyl-, methyl ester is 118.06 g/mol.
Where can I buy Carbamimidothioic acid, N,N-dimethyl-, methyl ester?
You can request a quote for Carbamimidothioic acid, N,N-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, N,N-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, N,N-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.