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55656-32-1 | 5-methyl[1,3]oxazolo[4,5-b]pyridine-2-thiol
CAS No: 55656-32-1 Catalog No: AG00J74J MDL No:MFCD11053024
Product Description
Catalog Number:
AG00J74J
Chemical Name:
5-methyl[1,3]oxazolo[4,5-b]pyridine-2-thiol
CAS Number:
55656-32-1
Molecular Formula:
C7H6N2OS
Molecular Weight:
166.2003
MDL Number:
MFCD11053024
IUPAC Name:
5-methyl-3H-[1,3]oxazolo[4,5-b]pyridine-2-thione
InChI:
InChI=1S/C7H6N2OS/c1-4-2-3-5-6(8-4)9-7(11)10-5/h2-3H,1H3,(H,8,9,11)
InChI Key:
MGXUVVBOGPSKRQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)nc(o2)S
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.198g/mol
Monoisotopic Mass:
166.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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