Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester
TL;DR: Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester (CAS 73747-41-8) is a chemical compound with molecular formula C30H24N2S4 and molecular weight 540.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diphenylcarbamothioylsulfanyl)but-2-ynyl N,N-diphenylcarbamodithioate
Also Known As: 1,4-Bis(diphenyldithiocarbamoyl)but-2-yne, CARBAMIC ACID, BIS(DIPHENYLDITHIO-, BUTYNYLENE ESTER, Carbamodithioic acid, tetraphenyldi-, butynylene ester, But-2-yne-1,4-diyl bis(diphenylcarbamodithioate), Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester
| Molecular Formula | C30H24N2S4 |
|---|---|
| Molecular Weight | 540.08 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.0822 |
| Heavy Atoms | 36 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 73747-41-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=S)SCC#CCSC(=S)N(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | KRJJRCBJAVJIHL-UHFFFAOYSA-N |
Product Overview
Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester (CAS 73747-41-8), with molecular formula C30H24N2S4 and molecular weight 540.08 g/mol. IUPAC: 4-(diphenylcarbamothioylsulfanyl)but-2-ynyl N,N-diphenylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester
Property Insights of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester
The XLogP value of 8.6 indicates that Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester?
The CAS number of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester is 73747-41-8.
What is the molecular formula of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester?
The molecular formula of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester is C30H24N2S4.
What is the molecular weight of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester?
The molecular weight of Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester is 540.08 g/mol.
Where can I buy Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester?
You can request a quote for Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl 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, diphenyl-, 2-butyne-1,4-diyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, diphenyl-, 2-butyne-1,4-diyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.