3-Chloro-2-(methylsulfanylmethyl)aniline
TL;DR: 3-Chloro-2-(methylsulfanylmethyl)aniline (CAS 34774-89-5) is a chemical compound with molecular formula C8H10ClNS and molecular weight 187.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-(methylsulfanylmethyl)aniline
Also Known As: 3-chloro-2-(methylsulfanylmethyl)aniline, 2-Methyl-mercaptomethyl-3-chloranilin
| Molecular Formula | C8H10ClNS |
|---|---|
| Molecular Weight | 187.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.02225 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 34774-89-5 |
|---|---|
| SMILES | CSCC1=C(C=CC=C1Cl)N |
| InChIKey | CEIZHHKZEVYSTL-UHFFFAOYSA-N |
Product Overview
3-Chloro-2-(methylsulfanylmethyl)aniline (CAS 34774-89-5), with molecular formula C8H10ClNS and molecular weight 187.02 g/mol. IUPAC: 3-chloro-2-(methylsulfanylmethyl)aniline.
Chemical Property Profile of 3-Chloro-2-(methylsulfanylmethyl)aniline
Property Insights of 3-Chloro-2-(methylsulfanylmethyl)aniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-(methylsulfanylmethyl)aniline. With a topological polar surface area (TPSA) of 51.3 Ų, 3-Chloro-2-(methylsulfanylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(methylsulfanylmethyl)aniline 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 3-Chloro-2-(methylsulfanylmethyl)aniline?
The CAS number of 3-Chloro-2-(methylsulfanylmethyl)aniline is 34774-89-5.
What is the molecular formula of 3-Chloro-2-(methylsulfanylmethyl)aniline?
The molecular formula of 3-Chloro-2-(methylsulfanylmethyl)aniline is C8H10ClNS.
What is the molecular weight of 3-Chloro-2-(methylsulfanylmethyl)aniline?
The molecular weight of 3-Chloro-2-(methylsulfanylmethyl)aniline is 187.02 g/mol.
Where can I buy 3-Chloro-2-(methylsulfanylmethyl)aniline?
You can request a quote for 3-Chloro-2-(methylsulfanylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-(methylsulfanylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(methylsulfanylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.