C12H22N4O4S4
TL;DR: C12H22N4O4S4 (CAS 507253-82-9) is a chemical compound with molecular formula C12H22N4O4S4 and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dioxothiolan-3-yl)-3-[2-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]thiourea
Also Known As: 1,1'-ethane-1,2-diylbis[3-(1,1-dioxidotetrahydrothiophen-3-yl)(thiourea)], 1,1'-(ethane-1,2-diyl)bis(3-(1,1-dioxidotetrahydrothiophen-3-yl)thiourea), 1-(1,1-dioxothiolan-3-yl)-3-[2-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]thiourea, 1-(1,1-dioxothiolan-3-yl)-3-[2-[(1,1-dioxothiolan-3-yl)thiocarbamoylamino]ethyl]thiourea, 3-[({[2-({[(1,1-dioxothiolan-3-yl)amino]thioxomethyl}amino)ethyl]amino}thioxom ethyl)amino]thiolane-1,1-dione
| Molecular Formula | C12H22N4O4S4 |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | -1.7112 |
| Topological Polar Surface Area | 116.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0524 |
| Heavy Atoms | 24 |
| Complexity | 631.84644 |
Chemical Identifiers
| CAS Number | 507253-82-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=S)NCCNC(=S)NC2CCS(=O)(=O)C2 |
Product Overview
C12H22N4O4S4 (CAS 507253-82-9), with molecular formula C12H22N4O4S4 and molecular weight 414.05 g/mol. IUPAC: 1-(1,1-dioxothiolan-3-yl)-3-[2-[(1,1-dioxothiolan-3-yl)carbamothioylamino]ethyl]thiourea.
Chemical Property Profile of C12H22N4O4S4
Property Insights of C12H22N4O4S4
The XLogP value of -1.7112 indicates that C12H22N4O4S4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H22N4O4S4. Following Lipinski's Rule of Five, C12H22N4O4S4 has 4 hydrogen bond donor(s) and 6 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 C12H22N4O4S4?
The CAS number of C12H22N4O4S4 is 507253-82-9.
What is the molecular formula of C12H22N4O4S4?
The molecular formula of C12H22N4O4S4 is C12H22N4O4S4.
What is the molecular weight of C12H22N4O4S4?
The molecular weight of C12H22N4O4S4 is 414.05 g/mol.
Where can I buy C12H22N4O4S4?
You can request a quote for C12H22N4O4S4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H22N4O4S4?
Yes, KEHONG BIO provides custom synthesis services for C12H22N4O4S4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.