![1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene structure](/static/products/3875/38752-40-8.webp)
1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
TL;DR: 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene (CAS 38752-40-8) is a chemical compound with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2-isothiocyanatoethylsulfanyl)benzene
Also Known As: Cipropride, 1-chloro-4-[(2-isothiocyanatoethyl)thio]benzene, 1-chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene, p-Chlorphenyl-2-isothiocyanatsulfid, 1-chloro-4-(2-isothiocyanatoethylsulfanyl)benzene
| Molecular Formula | C9H8ClNS2 |
|---|---|
| Molecular Weight | 228.98 g/mol |
| LogP | 3.5349 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.97867 |
| Heavy Atoms | 13 |
| Complexity | 303.89566 |
Chemical Identifiers
| CAS Number | 38752-40-8 |
|---|---|
| SMILES | C1=CC(=CC=C1SCCN=C=S)Cl |
Product Overview
1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene (CAS 38752-40-8), with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol. IUPAC: 1-chloro-4-(2-isothiocyanatoethylsulfanyl)benzene.
Chemical Property Profile of 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
Property Insights of 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene
The XLogP value of 3.5349 indicates that 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene has 0 hydrogen bond donor(s) and 3 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 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene?
The CAS number of 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene is 38752-40-8.
What is the molecular formula of 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene?
The molecular formula of 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene is C9H8ClNS2.
What is the molecular weight of 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene?
The molecular weight of 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene is 228.98 g/mol.
Where can I buy 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene?
You can request a quote for 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-[(2-isothiocyanatoethyl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.