Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)
TL;DR: Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) (CAS 2547-92-4) is a chemical compound with molecular formula C4H9ClN2S and molecular weight 152.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl carbamimidothioate;hydrochloride
Also Known As: S-allylisothiourea hydrochloride, allyl carbamimidothioate hydrochloride, Carbamimidothioic acid, 2-propenyl ester, monohydrochloride, allyl carbamimidothioate hydrochloride(1:1), prop-2-enyl carbamimidothioate hydrochloride
| Molecular Formula | C4H9ClN2S |
|---|---|
| Molecular Weight | 152.02 g/mol |
| LogP | 1.22 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.0175 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 2547-92-4 |
|---|---|
| SMILES | C=CCSC(=N)N.Cl |
| InChIKey | FOPNKOONSKRMAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) (CAS 2547-92-4), with molecular formula C4H9ClN2S and molecular weight 152.02 g/mol. IUPAC: prop-2-enyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)
Property Insights of Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1). The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1). Following Lipinski's Rule of Five, Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) has 3 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 Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)?
The CAS number of Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) is 2547-92-4.
What is the molecular formula of Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)?
The molecular formula of Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) is C4H9ClN2S.
What is the molecular weight of Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)?
The molecular weight of Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) is 152.02 g/mol.
Where can I buy Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)?
You can request a quote for Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 2-propen-1-yl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.