Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-
TL;DR: Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- (CAS 21018-39-3) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(2-methylprop-2-enyl)thiourea
Also Known As: Methallyl-benzyl-thioharnstoff, 1-Benzyl-3-(2-methylallyl)thiourea, 1-benzyl-3-(2-methylprop-2-enyl)thiourea, 1-(2-Methyl-2-propenyl)-3-benzylthiourea, J2.138.588C
| Molecular Formula | C12H16N2S |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 2.2268 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10342 |
| Heavy Atoms | 15 |
| Complexity | 332.73517 |
Chemical Identifiers
| CAS Number | 21018-39-3 |
|---|---|
| SMILES | CC(=C)CNC(=S)NCC1=CC=CC=C1 |
Product Overview
Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- (CAS 21018-39-3), with molecular formula C12H16N2S and molecular weight 220.10 g/mol. IUPAC: 1-benzyl-3-(2-methylprop-2-enyl)thiourea.
Chemical Property Profile of Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-
Property Insights of Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-
The XLogP value of 2.2268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-. With a topological polar surface area (TPSA) of 24.06 Ų, Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- has 2 hydrogen bond donor(s) and 1 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 Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-?
The CAS number of Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- is 21018-39-3.
What is the molecular formula of Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-?
The molecular formula of Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- is C12H16N2S.
What is the molecular weight of Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-?
The molecular weight of Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- is 220.10 g/mol.
Where can I buy Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-?
You can request a quote for Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Thiourea, N-(2-methyl-2-propenyl)-N'-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.