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86942-29-2 | Pyrazine, 2,5-bis(methylthio)-
CAS No: 86942-29-2 Catalog No: AG004L4V MDL No:
Product Description
Catalog Number:
AG004L4V
Chemical Name:
Pyrazine, 2,5-bis(methylthio)-
CAS Number:
86942-29-2
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
IUPAC Name:
2,5-bis(methylsulfanyl)pyrazine
InChI:
InChI=1S/C6H8N2S2/c1-9-5-3-8-6(10-2)4-7-5/h3-4H,1-2H3
InChI Key:
FTIGWHIACNROQC-UHFFFAOYSA-N
SMILES:
CSc1ncc(nc1)SC
Properties
Complexity:
87.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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