二苄基二硫代氨基甲酸
TL;DR: 二苄基二硫代氨基甲酸 (CAS 99-22-9) is a chemical compound with molecular formula C15H15NS2 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苄基二硫代氨基甲酸
dibenzylcarbamodithioic acid
Also Known As: Dibenzyldithiocarbamate, DBDC, dibenzyldithiocarbamic acid, dibenzylcarbamodithioic acid, n,n-dibenzyldithiocarbamic acid
| Molecular Formula | C15H15NS2 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.0646 |
| Heavy Atoms | 18 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 99-22-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)S |
| InChIKey | PCERBVBQNKZCFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二苄基二硫代氨基甲酸 (CAS 99-22-9), with molecular formula C15H15NS2 and molecular weight 273.06 g/mol. IUPAC: dibenzylcarbamodithioic acid.
Chemical Property Profile of 二苄基二硫代氨基甲酸
Property Insights of 二苄基二硫代氨基甲酸
The XLogP value of 3.9 indicates that 二苄基二硫代氨基甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 二苄基二硫代氨基甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二苄基二硫代氨基甲酸 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 二苄基二硫代氨基甲酸?
The CAS number of 二苄基二硫代氨基甲酸 is 99-22-9.
What is the molecular formula of 二苄基二硫代氨基甲酸?
The molecular formula of 二苄基二硫代氨基甲酸 is C15H15NS2.
What is the molecular weight of 二苄基二硫代氨基甲酸?
The molecular weight of 二苄基二硫代氨基甲酸 is 273.06 g/mol.
Where can I buy 二苄基二硫代氨基甲酸?
You can request a quote for 二苄基二硫代氨基甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苄基二硫代氨基甲酸?
Yes, KEHONG BIO provides custom synthesis services for 二苄基二硫代氨基甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.