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46000-25-3 | 4-methylsulfanylquinoline
CAS No: 46000-25-3 Catalog No: AG006YCA MDL No:
Product Description
Catalog Number:
AG006YCA
Chemical Name:
4-methylsulfanylquinoline
CAS Number:
46000-25-3
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
IUPAC Name:
4-methylsulfanylquinoline
InChI:
InChI=1S/C10H9NS/c1-12-10-6-7-11-9-5-3-2-4-8(9)10/h2-7H,1H3
InChI Key:
UPWGLVMHTJEWLR-UHFFFAOYSA-N
SMILES:
CSc1ccnc2c1cccc2
NSC Number:
248944
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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