Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester
TL;DR: Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester (CAS 30670-17-8) is a chemical compound with molecular formula C12H15NOS2 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-3-phenylpropyl) N,N-dimethylcarbamodithioate
Also Known As: 2-benzoylethyl dimethyldithiocarbamate, Dimethylcarbamodithioic acid 3-oxo-3-phenylpropyl ester, CARBAMODITHIOIC ACID, DIMETHYL-, 3-OXO-3-PHENYLPROPYL ESTER, 3-Oxo-3-phenylpropyl dimethylcarbamodithioate, N,N-Dimethyldithiocarbamidsaeure-(3-oxo-3-phenylpropyl)-ester
| Molecular Formula | C12H15NOS2 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.05951 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 30670-17-8 |
|---|---|
| SMILES | CN(C)C(=S)SCCC(=O)C1=CC=CC=C1 |
| InChIKey | IYKYIBVRBHXXFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester (CAS 30670-17-8), with molecular formula C12H15NOS2 and molecular weight 253.06 g/mol. IUPAC: (3-oxo-3-phenylpropyl) N,N-dimethylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester
Property Insights of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl 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-phenylpropyl ester?
The CAS number of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester is 30670-17-8.
What is the molecular formula of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester?
The molecular formula of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester is C12H15NOS2.
What is the molecular weight of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester?
The molecular weight of Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester is 253.06 g/mol.
Where can I buy Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester?
You can request a quote for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl 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-phenylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, dimethyl-, 3-oxo-3-phenylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.