N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide
TL;DR: N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide (CAS 17702-01-1) is a chemical compound with molecular formula C12H16N4S2 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(prop-2-enylcarbamothioylamino)thiourea
Also Known As: J3.570.144C, N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide, 1-benzyl-3-(prop-2-enylcarbamothioylamino)thiourea, N-Benzyl-N -allylhydrazine-1,2-dicarbothioamide, 1-[(BENZYLCARBAMOTHIOYL)AMINO]-3-(PROP-2-EN-1-YL)THIOUREA
| Molecular Formula | C12H16N4S2 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 1.2158 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.08163 |
| Heavy Atoms | 18 |
| Complexity | 405.79825 |
Chemical Identifiers
| CAS Number | 17702-01-1 |
|---|---|
| SMILES | C=CCNC(=S)NNC(=S)NCC1=CC=CC=C1 |
Product Overview
N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide (CAS 17702-01-1), with molecular formula C12H16N4S2 and molecular weight 280.08 g/mol. IUPAC: 1-benzyl-3-(prop-2-enylcarbamothioylamino)thiourea.
Chemical Property Profile of N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide
Property Insights of N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide
The XLogP value of 1.2158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide. With a topological polar surface area (TPSA) of 48.12 Ų, N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide has 4 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 N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide?
The CAS number of N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide is 17702-01-1.
What is the molecular formula of N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide?
The molecular formula of N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide is C12H16N4S2.
What is the molecular weight of N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide?
The molecular weight of N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide is 280.08 g/mol.
Where can I buy N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide?
You can request a quote for N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N'-(prop-2-en-1-yl)hydrazine-1,2-dicarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.