2-Cyanoethanethioamide
TL;DR: 2-Cyanoethanethioamide (CAS 7357-70-2) is a chemical compound with molecular formula C3H4N2S and molecular weight 100.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethanethioamide
Also Known As: 2-Cyanothioacetamide, 2-Cyanoethanethioamide, Cyanothioacetamide, null, (Cyano)thioacetamide
| Molecular Formula | C3H4N2S |
|---|---|
| Molecular Weight | 100.01 g/mol |
| LogP | 0.18618 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.00952 |
| Heavy Atoms | 6 |
| Complexity | 91.45654 |
Chemical Identifiers
| CAS Number | 7357-70-2 |
|---|---|
| SMILES | C(C#N)C(=S)N |
Product Overview
2-Cyanoethanethioamide (CAS 7357-70-2), with molecular formula C3H4N2S and molecular weight 100.01 g/mol. IUPAC: 2-cyanoethanethioamide.
Chemical Property Profile of 2-Cyanoethanethioamide
Property Insights of 2-Cyanoethanethioamide
The XLogP value of 0.18618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethanethioamide. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Cyanoethanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanoethanethioamide 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 2-Cyanoethanethioamide?
The CAS number of 2-Cyanoethanethioamide is 7357-70-2.
What is the molecular formula of 2-Cyanoethanethioamide?
The molecular formula of 2-Cyanoethanethioamide is C3H4N2S.
What is the molecular weight of 2-Cyanoethanethioamide?
The molecular weight of 2-Cyanoethanethioamide is 100.01 g/mol.
Where can I buy 2-Cyanoethanethioamide?
You can request a quote for 2-Cyanoethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.