3,4-Dichlorophenyl thiocyanate
TL;DR: 3,4-Dichlorophenyl thiocyanate (CAS 3313-77-7) is a chemical compound with molecular formula C7H3Cl2NS and molecular weight 202.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl) thiocyanate
Also Known As: 3,4-Dichlorophenyl thiocyanate, 1,2-Dichlor-4-thiocyanatobenzol, (3,4-dichlorophenyl) thiocyanate, [(3,4-dichlorophenyl)sulfanyl]formonitrile, J1.398.188D
| Molecular Formula | C7H3Cl2NS |
|---|---|
| Molecular Weight | 202.94 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.93633 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 3313-77-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC#N)Cl)Cl |
| InChIKey | GKTPLPCHBKXVKK-UHFFFAOYSA-N |
Product Overview
3,4-Dichlorophenyl thiocyanate (CAS 3313-77-7), with molecular formula C7H3Cl2NS and molecular weight 202.94 g/mol. IUPAC: (3,4-dichlorophenyl) thiocyanate.
Chemical Property Profile of 3,4-Dichlorophenyl thiocyanate
Property Insights of 3,4-Dichlorophenyl thiocyanate
The XLogP value of 4.0 indicates that 3,4-Dichlorophenyl thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 3,4-Dichlorophenyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorophenyl thiocyanate has 0 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 3,4-Dichlorophenyl thiocyanate?
The CAS number of 3,4-Dichlorophenyl thiocyanate is 3313-77-7.
What is the molecular formula of 3,4-Dichlorophenyl thiocyanate?
The molecular formula of 3,4-Dichlorophenyl thiocyanate is C7H3Cl2NS.
What is the molecular weight of 3,4-Dichlorophenyl thiocyanate?
The molecular weight of 3,4-Dichlorophenyl thiocyanate is 202.94 g/mol.
Where can I buy 3,4-Dichlorophenyl thiocyanate?
You can request a quote for 3,4-Dichlorophenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorophenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorophenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.