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Home > Aldehydes > 112385-32-7
112385-32-7 | 1,2,3-Thiadiazolecarboxaldehyde, (diethoxymethyl)-
CAS No: 112385-32-7 Catalog No: AG007B9R MDL No:
Product Description
Catalog Number:
AG007B9R
Chemical Name:
1,2,3-Thiadiazolecarboxaldehyde, (diethoxymethyl)-
CAS Number:
112385-32-7
Molecular Formula:
C8H12N2O3S
Molecular Weight:
216.2575
IUPAC Name:
5-(diethoxymethyl)thiadiazole-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O3S/c1-3-12-8(13-4-2)7-6(5-11)9-10-14-7/h5,8H,3-4H2,1-2H3
InChI Key:
WFKRSNBEFXPKIA-UHFFFAOYSA-N
SMILES:
CCOC(c1snnc1C=O)OCC
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.255g/mol
Monoisotopic Mass:
216.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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