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Home > Aldehydes > 144876-24-4
144876-24-4 | 1,3,4-thiadiazole-2-carboxaldehyde
CAS No: 144876-24-4 Catalog No: AG001KA0 MDL No:MFCD10700227
Product Description
Catalog Number:
AG001KA0
Chemical Name:
1,3,4-thiadiazole-2-carboxaldehyde
CAS Number:
144876-24-4
Molecular Formula:
C3H2N2OS
Molecular Weight:
114.1258
MDL Number:
MFCD10700227
IUPAC Name:
1,3,4-thiadiazole-2-carbaldehyde
InChI:
InChI=1S/C3H2N2OS/c6-1-3-5-4-2-7-3/h1-2H
InChI Key:
UXTIRLFDCHFIID-UHFFFAOYSA-N
SMILES:
O=Cc1nncs1
Properties
Complexity:
77.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.989g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.122g/mol
Monoisotopic Mass:
113.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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