Propyl carbamimidothioate
TL;DR: Propyl carbamimidothioate (CAS 2986-21-2) is a chemical compound with molecular formula C4H10N2S and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl carbamimidothioate
Also Known As: S-propyl-isothiourea, propyl carbamimidothioate, 2-Propyl-isothiourea, Propylsulfanylmethanimidamide, (propylsulfanyl)methanimidamide
| Molecular Formula | C4H10N2S |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.05647 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 2986-21-2 |
|---|---|
| SMILES | CCCSC(=N)N |
| InChIKey | JKHAGQZCIAFTOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl carbamimidothioate (CAS 2986-21-2), with molecular formula C4H10N2S and molecular weight 118.06 g/mol. IUPAC: propyl carbamimidothioate.
Chemical Property Profile of Propyl carbamimidothioate
Property Insights of Propyl carbamimidothioate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl carbamimidothioate. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl carbamimidothioate. Following Lipinski's Rule of Five, Propyl carbamimidothioate 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 Propyl carbamimidothioate?
The CAS number of Propyl carbamimidothioate is 2986-21-2.
What is the molecular formula of Propyl carbamimidothioate?
The molecular formula of Propyl carbamimidothioate is C4H10N2S.
What is the molecular weight of Propyl carbamimidothioate?
The molecular weight of Propyl carbamimidothioate is 118.06 g/mol.
Where can I buy Propyl carbamimidothioate?
You can request a quote for Propyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Propyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.