(5-chloro-2-isothiocyanatophenyl)(phenyl)methanone
TL;DR: (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone (CAS 67862-72-0) is a chemical compound with molecular formula C14H8ClNOS and molecular weight 273.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-isothiocyanatophenyl)-phenylmethanone
Also Known As: (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone, ZERO/004522, Methanone, (5-chloro-2-isothiocyanatophenyl)phenyl-, 2-benzoyl-4-chlorophenylisothiocyanate, (5-chloro-2-isothiocyanatophenyl)-phenylmethanone
| Molecular Formula | C14H8ClNOS |
|---|---|
| Molecular Weight | 273.00 g/mol |
| LogP | 4.3053 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.00153 |
| Heavy Atoms | 18 |
| Complexity | 633.4972 |
Chemical Identifiers
| CAS Number | 67862-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N=C=S |
Product Overview
(5-chloro-2-isothiocyanatophenyl)(phenyl)methanone (CAS 67862-72-0), with molecular formula C14H8ClNOS and molecular weight 273.00 g/mol. IUPAC: (5-chloro-2-isothiocyanatophenyl)-phenylmethanone.
Chemical Property Profile of (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone
Property Insights of (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone
The XLogP value of 4.3053 indicates that (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone 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 (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone?
The CAS number of (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone is 67862-72-0.
What is the molecular formula of (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone?
The molecular formula of (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone is C14H8ClNOS.
What is the molecular weight of (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone?
The molecular weight of (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone is 273.00 g/mol.
Where can I buy (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone?
You can request a quote for (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-chloro-2-isothiocyanatophenyl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.