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Home > Aldehydes > 859506-70-0
859506-70-0 | 1,3,4-Thiadiazole-2,5-dicarboxaldehyde
CAS No: 859506-70-0 Catalog No: AG004QLG MDL No:
Product Description
Catalog Number:
AG004QLG
Chemical Name:
1,3,4-Thiadiazole-2,5-dicarboxaldehyde
CAS Number:
859506-70-0
Molecular Formula:
C4H2N2O2S
Molecular Weight:
142.1359
IUPAC Name:
1,3,4-thiadiazole-2,5-dicarbaldehyde
InChI:
InChI=1S/C4H2N2O2S/c7-1-3-5-6-4(2-8)9-3/h1-2H
InChI Key:
FZDABVOWUXHHND-UHFFFAOYSA-N
SMILES:
O=Cc1nnc(s1)C=O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.132g/mol
Monoisotopic Mass:
141.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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