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74990-49-1 | 2-(benzylsulfanyl)-3-methylpyrazine
CAS No: 74990-49-1 Catalog No: AG005F00 MDL No:
Product Description
Catalog Number:
AG005F00
Chemical Name:
2-(benzylsulfanyl)-3-methylpyrazine
CAS Number:
74990-49-1
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
IUPAC Name:
2-benzylsulfanyl-3-methylpyrazine
InChI:
InChI=1S/C12H12N2S/c1-10-12(14-8-7-13-10)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
YFTXLZYURWUCQR-UHFFFAOYSA-N
SMILES:
Cc1nccnc1SCc1ccccc1
NSC Number:
57168
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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