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188836-29-5 | Quinoline, 4-(1-methylethyl)-2-(methylthio)-
CAS No: 188836-29-5 Catalog No: AG002HE8 MDL No:
Product Description
Catalog Number:
AG002HE8
Chemical Name:
Quinoline, 4-(1-methylethyl)-2-(methylthio)-
CAS Number:
188836-29-5
Molecular Formula:
C13H15NS
Molecular Weight:
217.3299
IUPAC Name:
2-methylsulfanyl-4-propan-2-ylquinoline
InChI:
InChI=1S/C13H15NS/c1-9(2)11-8-13(15-3)14-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChI Key:
RMEZUCJOEKPUFS-UHFFFAOYSA-N
SMILES:
CSc1cc(C(C)C)c2c(n1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.33g/mol
Monoisotopic Mass:
217.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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