Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester
TL;DR: Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester (CAS 91631-92-4) is a chemical compound with molecular formula C16H14Cl3NS2 and molecular weight 388.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trichloromethyl N,N-dibenzylcarbamodithioate
Also Known As: Trichloromethyl dibenzyldithiocarbamate, Trichloromethyl dibenzylcarbamodithioate, trichloromethyl N,N-dibenzylcarbamodithioate, Trichloromethyl dibenzyldithiocarbamate #, Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester
| Molecular Formula | C16H14Cl3NS2 |
|---|---|
| Molecular Weight | 388.96 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 60.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.96332 |
| Heavy Atoms | 22 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 91631-92-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)SC(Cl)(Cl)Cl |
| InChIKey | YJURXROJEYMQHM-UHFFFAOYSA-N |
Product Overview
Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester (CAS 91631-92-4), with molecular formula C16H14Cl3NS2 and molecular weight 388.96 g/mol. IUPAC: trichloromethyl N,N-dibenzylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester
Property Insights of Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester
The XLogP value of 6.2 indicates that Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester. Following Lipinski's Rule of Five, Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester has 0 hydrogen bond donor(s) and 2 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, bis(phenylmethyl)-, trichloromethyl ester?
The CAS number of Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester is 91631-92-4.
What is the molecular formula of Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester?
The molecular formula of Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester is C16H14Cl3NS2.
What is the molecular weight of Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester?
The molecular weight of Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester is 388.96 g/mol.
Where can I buy Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester?
You can request a quote for Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl 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, bis(phenylmethyl)-, trichloromethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, bis(phenylmethyl)-, trichloromethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.