Carbamic acid, phenethyldithio-, allyl ester
TL;DR: Carbamic acid, phenethyldithio-, allyl ester (CAS 6873-28-5) is a chemical compound with molecular formula C12H15NS2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl N-(2-phenylethyl)carbamodithioate
Also Known As: Phenethyldithiocarbamic acid allyl ester, CARBAMIC ACID, PHENETHYLDITHIO-, ALLYL ESTER, prop-2-enyl N-phenethylcarbamodithioate, Prop-2-en-1-yl (2-phenylethyl)carbamodithioate, BRN 2728546
| Molecular Formula | C12H15NS2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 3.0228 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.06459 |
| Heavy Atoms | 15 |
| Complexity | 308.658 |
Chemical Identifiers
| CAS Number | 6873-28-5 |
|---|---|
| SMILES | C=CCSC(=S)NCCC1=CC=CC=C1 |
Product Overview
Carbamic acid, phenethyldithio-, allyl ester (CAS 6873-28-5), with molecular formula C12H15NS2 and molecular weight 237.06 g/mol. IUPAC: prop-2-enyl N-(2-phenylethyl)carbamodithioate.
Chemical Property Profile of Carbamic acid, phenethyldithio-, allyl ester
Property Insights of Carbamic acid, phenethyldithio-, allyl ester
The XLogP value of 3.0228 indicates that Carbamic acid, phenethyldithio-, allyl 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, Carbamic acid, phenethyldithio-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, phenethyldithio-, allyl 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 Carbamic acid, phenethyldithio-, allyl ester?
The CAS number of Carbamic acid, phenethyldithio-, allyl ester is 6873-28-5.
What is the molecular formula of Carbamic acid, phenethyldithio-, allyl ester?
The molecular formula of Carbamic acid, phenethyldithio-, allyl ester is C12H15NS2.
What is the molecular weight of Carbamic acid, phenethyldithio-, allyl ester?
The molecular weight of Carbamic acid, phenethyldithio-, allyl ester is 237.06 g/mol.
Where can I buy Carbamic acid, phenethyldithio-, allyl ester?
You can request a quote for Carbamic acid, phenethyldithio-, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, phenethyldithio-, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, phenethyldithio-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.