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89531-98-6 | 1,3,4-Thiadiazole, 2-amino-5-isobutoxy-, (7CI)
CAS No: 89531-98-6 Catalog No: AG0040KF MDL No:
Product Description
Catalog Number:
AG0040KF
Chemical Name:
1,3,4-Thiadiazole, 2-amino-5-isobutoxy-, (7CI)
CAS Number:
89531-98-6
Molecular Formula:
C6H11N3OS
Molecular Weight:
173.2360
IUPAC Name:
5-(2-methylpropoxy)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C6H11N3OS/c1-4(2)3-10-6-9-8-5(7)11-6/h4H,3H2,1-2H3,(H2,7,8)
InChI Key:
JKYQIRLQBKYJKB-UHFFFAOYSA-N
SMILES:
CC(COc1nnc(s1)N)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.062g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.234g/mol
Monoisotopic Mass:
173.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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