N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine
TL;DR: N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine (CAS 19318-90-2) is a chemical compound with molecular formula C16H28N6S3 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-1,1-bis[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea
Also Known As: N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine, J3.466.652K, 2,5,8,10-Tetraazatridec-12-enethioamide, N-2-propenyl-5-(2-propenylamino)thioxomethyl-9-thioxo-, 3-Allyl-1,1-bis[2-(3-allylthioureido)ethyl]thiourea, 3-prop-2-enyl-1,1-bis[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea
| Molecular Formula | C16H28N6S3 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 0.6491 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 400.15375 |
| Heavy Atoms | 25 |
| Complexity | 436.7864 |
Chemical Identifiers
| CAS Number | 19318-90-2 |
|---|---|
| SMILES | C=CCNC(=S)NCCN(CCNC(=S)NCC=C)C(=S)NCC=C |
Product Overview
N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine (CAS 19318-90-2), with molecular formula C16H28N6S3 and molecular weight 400.15 g/mol. IUPAC: 3-prop-2-enyl-1,1-bis[2-(prop-2-enylcarbamothioylamino)ethyl]thiourea.
Chemical Property Profile of N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine
Property Insights of N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine
The XLogP value of 0.6491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine. Following Lipinski's Rule of Five, N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine has 5 hydrogen bond donor(s) and 3 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 N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine?
The CAS number of N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine is 19318-90-2.
What is the molecular formula of N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine?
The molecular formula of N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine is C16H28N6S3.
What is the molecular weight of N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine?
The molecular weight of N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine is 400.15 g/mol.
Where can I buy N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine?
You can request a quote for N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine?
Yes, KEHONG BIO provides custom synthesis services for N,N',N''-Tris(allylthiocarbamoyl)diethylenetriamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.