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115366-84-2 | Pyrido[2,3-b]pyrazine-3(4H)-thione, 2-methyl-
CAS No: 115366-84-2 Catalog No: AG000GMX MDL No:MFCD19707062
Product Description
Catalog Number:
AG000GMX
Chemical Name:
Pyrido[2,3-b]pyrazine-3(4H)-thione, 2-methyl-
CAS Number:
115366-84-2
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
MDL Number:
MFCD19707062
IUPAC Name:
2-methyl-4H-pyrido[2,3-b]pyrazine-3-thione
InChI:
InChI=1S/C8H7N3S/c1-5-8(12)11-7-6(10-5)3-2-4-9-7/h2-4H,1H3,(H,9,11,12)
InChI Key:
CEQIQPGYHXGGQT-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ncccc2nc1C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.225g/mol
Monoisotopic Mass:
177.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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