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75238-60-7 | 1,2,5-Thiadiazole-3-carboxaldehyde
CAS No: 75238-60-7 Catalog No: AG005MSL MDL No:
Product Description
Catalog Number:
AG005MSL
Chemical Name:
1,2,5-Thiadiazole-3-carboxaldehyde
CAS Number:
75238-60-7
Molecular Formula:
C3H2N2OS
Molecular Weight:
114.1258
IUPAC Name:
1,2,5-thiadiazole-3-carbaldehyde
InChI:
InChI=1S/C3H2N2OS/c6-2-3-1-4-7-5-3/h1-2H
InChI Key:
DKDCFDKIOMYRHM-UHFFFAOYSA-N
SMILES:
O=Cc1cnsn1
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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