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29422-54-6 | 1,3,4-Thiadiazole-2-carboxaldehyde, 5-amino-
CAS No: 29422-54-6 Catalog No: AG002YCG MDL No:MFCD04035553
Product Description
Catalog Number:
AG002YCG
Chemical Name:
1,3,4-Thiadiazole-2-carboxaldehyde, 5-amino-
CAS Number:
29422-54-6
Molecular Formula:
C3H3N3OS
Molecular Weight:
129.1404
MDL Number:
MFCD04035553
IUPAC Name:
5-amino-1,3,4-thiadiazole-2-carbaldehyde
InChI:
InChI=1S/C3H3N3OS/c4-3-6-5-2(1-7)8-3/h1H,(H2,4,6)
InChI Key:
BDULDRGZKOHUGK-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)C=O
Properties
Complexity:
98.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.137g/mol
Monoisotopic Mass:
129g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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