2-(Carbamimidoylsulfanyl)acetonitrile
TL;DR: 2-(Carbamimidoylsulfanyl)acetonitrile (CAS 344328-94-5) is a chemical compound with molecular formula C3H5N3S and molecular weight 115.02042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyanomethyl carbamimidothioate
Also Known As: 2-(carbamimidoylsulfanyl)acetonitrile, cyanomethyl carbamimidothioate, 2-(Cyanomethyl)isothiourea, Cyanomethylsulfanylmethanimidamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H5N3S |
| Molecular Weight | 115.02042 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 99.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.02042 Da |
| Heavy Atoms | 7 |
| Complexity | 111.0 |
| SMILES | C(C#N)SC(=N)N |
| InChIKey | OTRRKMLWFXJTKO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Carbamimidoylsulfanyl)acetonitrile
Property Insights of 2-(Carbamimidoylsulfanyl)acetonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Carbamimidoylsulfanyl)acetonitrile. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carbamimidoylsulfanyl)acetonitrile. Following Lipinski's Rule of Five, 2-(Carbamimidoylsulfanyl)acetonitrile has 2 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 2-(Carbamimidoylsulfanyl)acetonitrile?
The CAS number of 2-(Carbamimidoylsulfanyl)acetonitrile is 344328-94-5.
What is the molecular formula of 2-(Carbamimidoylsulfanyl)acetonitrile?
The molecular formula of 2-(Carbamimidoylsulfanyl)acetonitrile is C3H5N3S.
What is the molecular weight of 2-(Carbamimidoylsulfanyl)acetonitrile?
The molecular weight of 2-(Carbamimidoylsulfanyl)acetonitrile is 115.02042 g/mol.
Where can I buy 2-(Carbamimidoylsulfanyl)acetonitrile?
You can request a quote for 2-(Carbamimidoylsulfanyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Carbamimidoylsulfanyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Carbamimidoylsulfanyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.