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1381779-55-0 | Thieno[3,4-b]pyrazine, 2-[4-(methylsulfonyl)phenyl]-
CAS No: 1381779-55-0 Catalog No: AG00184H MDL No:
Product Description
Catalog Number:
AG00184H
Chemical Name:
Thieno[3,4-b]pyrazine, 2-[4-(methylsulfonyl)phenyl]-
CAS Number:
1381779-55-0
Molecular Formula:
C13H10N2O2S2
Molecular Weight:
290.3607
IUPAC Name:
3-(4-methylsulfonylphenyl)thieno[3,4-b]pyrazine
InChI:
InChI=1S/C13H10N2O2S2/c1-19(16,17)10-4-2-9(3-5-10)11-6-14-12-7-18-8-13(12)15-11/h2-8H,1H3
InChI Key:
VCZYMZWWUUMAHD-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(cc1)c1cnc2c(n1)csc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.355g/mol
Monoisotopic Mass:
290.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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