硫代氨基亚胺酸烯丙酯
TL;DR: 硫代氨基亚胺酸烯丙酯 (CAS 2547-77-5) is a chemical compound with molecular formula C4H8N2S and molecular weight 116.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代氨基亚胺酸烯丙酯
prop-2-enyl carbamimidothioate
Also Known As: S-allylisothiourea, 2-Allyl-isothiourea, Allyl carbamimidothioate, Allyl imidothiocarbamate, prop-2-enyl carbamimidothioate
| Molecular Formula | C4H8N2S |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04082 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 2547-77-5 |
|---|---|
| SMILES | C=CCSC(=N)N |
| InChIKey | ZXOANPMNJZGRAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代氨基亚胺酸烯丙酯 (CAS 2547-77-5), with molecular formula C4H8N2S and molecular weight 116.04 g/mol. IUPAC: prop-2-enyl carbamimidothioate.
Chemical Property Profile of 硫代氨基亚胺酸烯丙酯
Property Insights of 硫代氨基亚胺酸烯丙酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代氨基亚胺酸烯丙酯. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫代氨基亚胺酸烯丙酯. Following Lipinski's Rule of Five, 硫代氨基亚胺酸烯丙酯 has 2 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 硫代氨基亚胺酸烯丙酯?
The CAS number of 硫代氨基亚胺酸烯丙酯 is 2547-77-5.
What is the molecular formula of 硫代氨基亚胺酸烯丙酯?
The molecular formula of 硫代氨基亚胺酸烯丙酯 is C4H8N2S.
What is the molecular weight of 硫代氨基亚胺酸烯丙酯?
The molecular weight of 硫代氨基亚胺酸烯丙酯 is 116.04 g/mol.
Where can I buy 硫代氨基亚胺酸烯丙酯?
You can request a quote for 硫代氨基亚胺酸烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代氨基亚胺酸烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代氨基亚胺酸烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.