Home Aldehydes 2-Thiazolecarboxaldehyde, 4-(hydroxymethyl)- (9CI)

2-Thiazolecarboxaldehyde, 4-(hydroxymethyl)- (9CI)

CAS No.:
466686-75-9
Catalog Number:
AG00E6P2
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
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Product Description
Catalog Number:
AG00E6P2
Chemical Name:
2-Thiazolecarboxaldehyde, 4-(hydroxymethyl)- (9CI)
CAS Number:
466686-75-9
Molecular Formula:
C5H5NO2S
Molecular Weight:
143.1637
MDL Number:
MFCD18817006
IUPAC Name:
4-(hydroxymethyl)-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C5H5NO2S/c7-1-4-3-9-5(2-8)6-4/h2-3,7H,1H2
InChI Key:
WGUXYVUEYMFATE-UHFFFAOYSA-N
SMILES:
OCc1csc(n1)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:
1  
Isotope Atom Count:
0
Molecular Weight:
143.16g/mol
Monoisotopic Mass:
143.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties