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Home > Thiazole > 1028332-34-4
1028332-34-4 | 5-sulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-7-ol
CAS No: 1028332-34-4 Catalog No: AG019U1F MDL No:MFCD18642514
Product Description
Catalog Number:
AG019U1F
Chemical Name:
5-sulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-7-ol
CAS Number:
1028332-34-4
Molecular Formula:
C5H3N3OS2
Molecular Weight:
185.2268
MDL Number:
MFCD18642514
IUPAC Name:
5-sulfanylidene-4H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
InChI:
InChI=1S/C5H3N3OS2/c9-3-2-4(11-1-6-2)8-5(10)7-3/h1H,(H2,7,8,9,10)
InChI Key:
OZJQUKPANHQMOL-UHFFFAOYSA-N
SMILES:
Sc1nc(O)c2c(n1)scn2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.972g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.219g/mol
Monoisotopic Mass:
184.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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