Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester
TL;DR: Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester (CAS 60405-29-0) is a chemical compound with molecular formula C12H13NOS2 and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-3-phenylprop-1-enyl) N,N-dimethylcarbamodithioate
Also Known As: (3-oxo-3-phenylprop-1-enyl) N,N-dimethylcarbamodithioate, Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester, 3-Oxo-3-phenylprop-1-en-1-yl dimethylcarbamodithioate, Carbamodithioic acid,dimethyl-,3-oxo-3-phenyl-1-propenyl ester
| Molecular Formula | C12H13NOS2 |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 2.9627 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04385 |
| Heavy Atoms | 16 |
| Complexity | 398.7396 |
Chemical Identifiers
| CAS Number | 60405-29-0 |
|---|---|
| SMILES | CN(C)C(=S)SC=CC(=O)C1=CC=CC=C1 |
Product Overview
Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester (CAS 60405-29-0), with molecular formula C12H13NOS2 and molecular weight 251.04 g/mol. IUPAC: (3-oxo-3-phenylprop-1-enyl) N,N-dimethylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester
Property Insights of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester
The XLogP value of 2.9627 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester. With a topological polar surface area (TPSA) of 20.31 Ų, Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester has 0 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 Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester?
The CAS number of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester is 60405-29-0.
What is the molecular formula of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester?
The molecular formula of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester is C12H13NOS2.
What is the molecular weight of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester?
The molecular weight of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester is 251.04 g/mol.
Where can I buy Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester?
You can request a quote for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenyl-1-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.