| CAS Number | 938459-19-9 |
| Catalog Number | AG00GVJ5(AGN-PC-0WB450) |
| Chemical Name | 2-Chloro-4-methyl-7-(methylthio)quinoline |
| IUPAC Name | 2-chloro-4-methyl-7-methylsulfanylquinoline |
| InChI | InChI=1S/C11H10ClNS/c1-7-5-11(12)13-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3 |
| InChI Key | RUYYKVHMGWOUCK-UHFFFAOYSA-N |
| MDL Number | MFCD09055411 |
| Molecular Formula | C11H10ClNS |
| Molecular Weight | 223.7218 |
| SMILES | ClC1=NC2=CC(=CC=C2C(=C1)C)SC |
| Synonyms | 2-Chloro-4-methyl-7-(methylthio)quinoline,
938459-19-9,
2-Chloro-4-methyl-7-(methylsulfanyl)quinoline,
CTK5H3526,
DTXSID00651051,
ZX-CM015104,
FCH932999,
MFCD09055411,
ZINC19093660,
AKOS006342346,
AJ-72196,
DA-18719,
FT-0727363,
Y-5223,
2-Chloro-4-methyl-7-(methylthio)quinoline, AldrichCPR,
4902187-25G,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.718g/mol |
| Monoisotopic Mass | 223.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H319
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number