Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)
TL;DR: Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1) (CAS 59793-60-1) is a chemical compound with molecular formula C3H6ClN3S and molecular weight 150.9971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyanomethyl carbamimidothioate;hydrochloride
Also Known As: cyanomethyl carbamimidothioate hydrochloride, cyanomethyl imidothiocarbamate hydrochloride, 2-(Carbamimidoylsulfanyl)acetonitrile hydrochloride, S-cyanomethylisothiourea hydrochloride, 2-(cyanomethyl)isothiourea;hydrochloride
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6ClN3S |
| Molecular Weight | 150.9971 g/mol |
| XLogP | 0.56 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.9971 Da |
| Heavy Atoms | 8 |
| Complexity | 111.0 |
| SMILES | C(C#N)SC(=N)N.Cl |
| InChIKey | YJANCUVMJQPWBU-UHFFFAOYSA-N |
Chemical Property Profile of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)
Property Insights of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)
The XLogP value of 0.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1). The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1) 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
What is the CAS number of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)?
The CAS number of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1) is 59793-60-1.
What is the molecular formula of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)?
The molecular formula of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1) is C3H6ClN3S.
What is the molecular weight of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)?
The molecular weight of Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1) is 150.9971 g/mol.
Where can I buy Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)?
You can request a quote for Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1)?
Yes, CoreyChem provides custom synthesis services for Carbamimidothioic acid, cyanomethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.