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78648-60-9 | Thieno[3,4-b]pyrazine,2,3-dimethyl-, 1-oxide
CAS No: 78648-60-9 Catalog No: AG005K0U MDL No:
Product Description
Catalog Number:
AG005K0U
Chemical Name:
Thieno[3,4-b]pyrazine,2,3-dimethyl-, 1-oxide
CAS Number:
78648-60-9
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
2,3-dimethyl-4-oxidothieno[3,4-b]pyrazin-4-ium
InChI:
InChI=1S/C8H8N2OS/c1-5-6(2)10(11)8-4-12-3-7(8)9-5/h3-4H,1-2H3
InChI Key:
DLQNUUQLNLVDSY-UHFFFAOYSA-N
SMILES:
Cc1c(C)nc2c([n+]1[O-])csc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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