1-Propylidene-2,4-dithiobiuret
TL;DR: 1-Propylidene-2,4-dithiobiuret (CAS 5333-35-7) is a chemical compound with molecular formula C5H9N3S2 and molecular weight 175.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-1-carbamothioyl-3-propylidenethiourea
Also Known As: 1-PROPYLIDENE-2,4-DITHIOBIURET, (3Z)-1-carbamothioyl-3-propylidenethiourea, N-[(1Z)-Propylidene]-2-imidodithiodicarbonic diamide
| Molecular Formula | C5H9N3S2 |
|---|---|
| Molecular Weight | 175.02 g/mol |
| LogP | 0.5853 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.02379 |
| Heavy Atoms | 10 |
| Complexity | 164.276 |
Chemical Identifiers
| CAS Number | 5333-35-7 |
|---|---|
| SMILES | CC/C=N\C(=S)NC(=S)N |
Product Overview
1-Propylidene-2,4-dithiobiuret (CAS 5333-35-7), with molecular formula C5H9N3S2 and molecular weight 175.02 g/mol. IUPAC: (3Z)-1-carbamothioyl-3-propylidenethiourea.
Chemical Property Profile of 1-Propylidene-2,4-dithiobiuret
Property Insights of 1-Propylidene-2,4-dithiobiuret
The XLogP value of 0.5853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propylidene-2,4-dithiobiuret. With a topological polar surface area (TPSA) of 50.41 Ų, 1-Propylidene-2,4-dithiobiuret exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propylidene-2,4-dithiobiuret 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 1-Propylidene-2,4-dithiobiuret?
The CAS number of 1-Propylidene-2,4-dithiobiuret is 5333-35-7.
What is the molecular formula of 1-Propylidene-2,4-dithiobiuret?
The molecular formula of 1-Propylidene-2,4-dithiobiuret is C5H9N3S2.
What is the molecular weight of 1-Propylidene-2,4-dithiobiuret?
The molecular weight of 1-Propylidene-2,4-dithiobiuret is 175.02 g/mol.
Where can I buy 1-Propylidene-2,4-dithiobiuret?
You can request a quote for 1-Propylidene-2,4-dithiobiuret directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propylidene-2,4-dithiobiuret?
Yes, KEHONG BIO provides custom synthesis services for 1-Propylidene-2,4-dithiobiuret and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.