Home Aldehydes 5-Isothiazolecarboxaldehyde, 3-methoxy- (9CI)

5-Isothiazolecarboxaldehyde, 3-methoxy- (9CI)

CAS No.:
300768-05-2
Catalog Number:
AG00BUWT
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
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Product Description
Catalog Number:
AG00BUWT
Chemical Name:
5-Isothiazolecarboxaldehyde, 3-methoxy- (9CI)
CAS Number:
300768-05-2
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD18821786
IUPAC Name:
3-methoxy-1,2-thiazole-5-carbaldehyde
InChI:
InChI=1S/C5H5NO2S/c1-8-5-2-4(3-7)9-6-5/h2-3H,1H3
InChI Key:
BFOZCSISIDTCFT-UHFFFAOYSA-N
SMILES:
COc1nsc(c1)C=O
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.004g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties