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99784-28-8 | Pyrazine, 2-(ethylthio)-3-methyl-5-(2-methylbutyl)-
CAS No: 99784-28-8 Catalog No: AG003W21 MDL No:
Product Description
Catalog Number:
AG003W21
Chemical Name:
Pyrazine, 2-(ethylthio)-3-methyl-5-(2-methylbutyl)-
CAS Number:
99784-28-8
Molecular Formula:
C12H20N2S
Molecular Weight:
224.3656
IUPAC Name:
2-ethylsulfanyl-3-methyl-5-(2-methylbutyl)pyrazine
InChI:
InChI=1S/C12H20N2S/c1-5-9(3)7-11-8-13-12(15-6-2)10(4)14-11/h8-9H,5-7H2,1-4H3
InChI Key:
NSUWJTNHTHHKPF-UHFFFAOYSA-N
SMILES:
CCSc1ncc(nc1C)CC(CC)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.135g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.366g/mol
Monoisotopic Mass:
224.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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