Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester
TL;DR: Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (CAS 714-22-7) is a chemical compound with molecular formula C10H10ClNS2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-(4-chlorophenyl)carbamodithioate
Also Known As: Allyl p-chlorodithiocarbanilate, p-Chlorodithiocarbanilic acid allyl ester, Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester, CARBANILIC ACID, p-CHLORODITHIO-, ALLYL ESTER, Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (9CI)
| Molecular Formula | C10H10ClNS2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 3.956 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.99432 |
| Heavy Atoms | 14 |
| Complexity | 321.3988 |
Chemical Identifiers
| CAS Number | 714-22-7 |
|---|---|
| SMILES | C=CCSC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (CAS 714-22-7), with molecular formula C10H10ClNS2 and molecular weight 242.99 g/mol. IUPAC: prop-2-enyl N-(4-chlorophenyl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester
Property Insights of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester
The XLogP value of 3.956 indicates that Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester has 1 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 Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester?
The CAS number of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester is 714-22-7.
What is the molecular formula of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester?
The molecular formula of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester is C10H10ClNS2.
What is the molecular weight of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester?
The molecular weight of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester is 242.99 g/mol.
Where can I buy Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester?
You can request a quote for Carbamodithioic acid, (4-chlorophenyl)-, 2-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, (4-chlorophenyl)-, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.