Benzenecarbothioamide, 4-chloro-, S-oxide
TL;DR: Benzenecarbothioamide, 4-chloro-, S-oxide (CAS 75554-01-7) is a chemical compound with molecular formula C7H6ClNOS and molecular weight 186.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-sulfinylmethanamine
Also Known As: (4-chlorophenyl)-sulfinylmethanamine, Benzenecarbothioamide, 4-chloro-, S-oxide, (4-chlorophenyl)-sulfinyl-methanamine, Benzenemethanamine, 4-chloro-a-sulfinyl-, 1-(4-Chlorophenyl)-1-(oxo-lambda~4~-sulfanylidene)methanamine
| Molecular Formula | C7H6ClNOS |
|---|---|
| Molecular Weight | 186.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.98586 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 75554-01-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=S=O)N)Cl |
| InChIKey | SWBKHZAIJJBKTA-UHFFFAOYSA-N |
Product Overview
Benzenecarbothioamide, 4-chloro-, S-oxide (CAS 75554-01-7), with molecular formula C7H6ClNOS and molecular weight 186.99 g/mol. IUPAC: (4-chlorophenyl)-sulfinylmethanamine.
Chemical Property Profile of Benzenecarbothioamide, 4-chloro-, S-oxide
Property Insights of Benzenecarbothioamide, 4-chloro-, S-oxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarbothioamide, 4-chloro-, S-oxide. With a topological polar surface area (TPSA) of 44.1 Ų, Benzenecarbothioamide, 4-chloro-, S-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 4-chloro-, S-oxide 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 Benzenecarbothioamide, 4-chloro-, S-oxide?
The CAS number of Benzenecarbothioamide, 4-chloro-, S-oxide is 75554-01-7.
What is the molecular formula of Benzenecarbothioamide, 4-chloro-, S-oxide?
The molecular formula of Benzenecarbothioamide, 4-chloro-, S-oxide is C7H6ClNOS.
What is the molecular weight of Benzenecarbothioamide, 4-chloro-, S-oxide?
The molecular weight of Benzenecarbothioamide, 4-chloro-, S-oxide is 186.99 g/mol.
Where can I buy Benzenecarbothioamide, 4-chloro-, S-oxide?
You can request a quote for Benzenecarbothioamide, 4-chloro-, S-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, 4-chloro-, S-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 4-chloro-, S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.