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1353954-00-3 | Ethyl-(3-methylsulfanyl-pyrazin-2-ylmethyl)-amine
CAS No: 1353954-00-3 Catalog No: AG01F99D MDL No:
Product Description
Catalog Number:
AG01F99D
Chemical Name:
Ethyl-(3-methylsulfanyl-pyrazin-2-ylmethyl)-amine
CAS Number:
1353954-00-3
Molecular Formula:
C8H13N3S
Molecular Weight:
183.2739
IUPAC Name:
N-[(3-methylsulfanylpyrazin-2-yl)methyl]ethanamine
InChI:
InChI=1S/C8H13N3S/c1-3-9-6-7-8(12-2)11-5-4-10-7/h4-5,9H,3,6H2,1-2H3
InChI Key:
MNBBJXJLGXVGOZ-UHFFFAOYSA-N
SMILES:
CCNCc1nccnc1SC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.083g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.273g/mol
Monoisotopic Mass:
183.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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