2-(Cyanothiocarbamoylsulfanyl)acetamide
TL;DR: 2-(Cyanothiocarbamoylsulfanyl)acetamide (CAS 36598-40-0) is a chemical compound with molecular formula C4H5N3OS2 and molecular weight 174.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-2-oxoethyl) N-cyanocarbamodithioate
Also Known As: 2-(cyanothiocarbamoylsulfanyl)acetamide, Cyanimidodithiocarbonic acid S-benzyl ester, (2-amino-2-oxoethyl) N-cyanocarbamodithioate, potassium,(2-amino-2-oxoethyl) N-cyanocarbamodithioate
| Molecular Formula | C4H5N3OS2 |
|---|---|
| Molecular Weight | 174.99 g/mol |
| LogP | -0.43952 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.98741 |
| Heavy Atoms | 10 |
| Complexity | 185.43195 |
Chemical Identifiers
| CAS Number | 36598-40-0 |
|---|---|
| SMILES | C(C(=O)N)SC(=S)NC#N |
Product Overview
2-(Cyanothiocarbamoylsulfanyl)acetamide (CAS 36598-40-0), with molecular formula C4H5N3OS2 and molecular weight 174.99 g/mol. IUPAC: (2-amino-2-oxoethyl) N-cyanocarbamodithioate.
Chemical Property Profile of 2-(Cyanothiocarbamoylsulfanyl)acetamide
Property Insights of 2-(Cyanothiocarbamoylsulfanyl)acetamide
The XLogP value of -0.43952 indicates that 2-(Cyanothiocarbamoylsulfanyl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyanothiocarbamoylsulfanyl)acetamide. Following Lipinski's Rule of Five, 2-(Cyanothiocarbamoylsulfanyl)acetamide has 2 hydrogen bond donor(s) and 4 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-(Cyanothiocarbamoylsulfanyl)acetamide?
The CAS number of 2-(Cyanothiocarbamoylsulfanyl)acetamide is 36598-40-0.
What is the molecular formula of 2-(Cyanothiocarbamoylsulfanyl)acetamide?
The molecular formula of 2-(Cyanothiocarbamoylsulfanyl)acetamide is C4H5N3OS2.
What is the molecular weight of 2-(Cyanothiocarbamoylsulfanyl)acetamide?
The molecular weight of 2-(Cyanothiocarbamoylsulfanyl)acetamide is 174.99 g/mol.
Where can I buy 2-(Cyanothiocarbamoylsulfanyl)acetamide?
You can request a quote for 2-(Cyanothiocarbamoylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyanothiocarbamoylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyanothiocarbamoylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.