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116196-67-9 | Acetonitrile, 2-[(3,6-diethyl-2-pyrazinyl)thio]-
CAS No: 116196-67-9 Catalog No: AG000BUU MDL No:
Product Description
Catalog Number:
AG000BUU
Chemical Name:
Acetonitrile, 2-[(3,6-diethyl-2-pyrazinyl)thio]-
CAS Number:
116196-67-9
Molecular Formula:
C10H13N3S
Molecular Weight:
207.2953
IUPAC Name:
2-(3,6-diethylpyrazin-2-yl)sulfanylacetonitrile
InChI:
InChI=1S/C10H13N3S/c1-3-8-7-12-9(4-2)10(13-8)14-6-5-11/h7H,3-4,6H2,1-2H3
InChI Key:
IFCWVQSJSFTGJD-UHFFFAOYSA-N
SMILES:
N#CCSc1nc(CC)cnc1CC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.295g/mol
Monoisotopic Mass:
207.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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