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85073-03-6 | 1,3,4-Thiadiazol-2(3H)-one, 5-amino-3-methyl-
CAS No: 85073-03-6 Catalog No: AG004RQW MDL No:MFCD19204360
Product Description
Catalog Number:
AG004RQW
Chemical Name:
1,3,4-Thiadiazol-2(3H)-one, 5-amino-3-methyl-
CAS Number:
85073-03-6
Molecular Formula:
C3H5N3OS
Molecular Weight:
131.1563
MDL Number:
MFCD19204360
IUPAC Name:
5-amino-3-methyl-1,3,4-thiadiazol-2-one
InChI:
InChI=1S/C3H5N3OS/c1-6-3(7)8-2(4)5-6/h1H3,(H2,4,5)
InChI Key:
DRGWKSHHDVBZPR-UHFFFAOYSA-N
SMILES:
Cn1nc(sc1=O)N
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.015g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.153g/mol
Monoisotopic Mass:
131.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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