2-Chloro-6-methylsulfanylmethyl-phenylamine
TL;DR: 2-Chloro-6-methylsulfanylmethyl-phenylamine (CAS 34774-88-4) 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.
2-chloro-6-(methylsulfanylmethyl)aniline
Also Known As: 2-Chloro-6-methylsulfanylmethyl-phenylamine, 2-chloro-6-(methylsulfanylmethyl)aniline, Benzenamine, 2-chloro-6-[(methylthio)methyl]-, 2-CHLORO-6-[(METHYLSULFANYL)METHYL]ANILINE, BENZENAMINE,2-CHLORO-6-[(METHYLTHIO)METHYL]-
| 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 | 34774-88-4 |
|---|---|
| SMILES | CSCC1=C(C(=CC=C1)Cl)N |
| InChIKey | NQURKOQGRQARCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-6-methylsulfanylmethyl-phenylamine (CAS 34774-88-4), with molecular formula C8H10ClNS and molecular weight 187.02 g/mol. IUPAC: 2-chloro-6-(methylsulfanylmethyl)aniline.
Chemical Property Profile of 2-Chloro-6-methylsulfanylmethyl-phenylamine
Property Insights of 2-Chloro-6-methylsulfanylmethyl-phenylamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-methylsulfanylmethyl-phenylamine. With a topological polar surface area (TPSA) of 51.3 Ų, 2-Chloro-6-methylsulfanylmethyl-phenylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-methylsulfanylmethyl-phenylamine 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 2-Chloro-6-methylsulfanylmethyl-phenylamine?
The CAS number of 2-Chloro-6-methylsulfanylmethyl-phenylamine is 34774-88-4.
What is the molecular formula of 2-Chloro-6-methylsulfanylmethyl-phenylamine?
The molecular formula of 2-Chloro-6-methylsulfanylmethyl-phenylamine is C8H10ClNS.
What is the molecular weight of 2-Chloro-6-methylsulfanylmethyl-phenylamine?
The molecular weight of 2-Chloro-6-methylsulfanylmethyl-phenylamine is 187.02 g/mol.
Where can I buy 2-Chloro-6-methylsulfanylmethyl-phenylamine?
You can request a quote for 2-Chloro-6-methylsulfanylmethyl-phenylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-methylsulfanylmethyl-phenylamine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-methylsulfanylmethyl-phenylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.