Home Aldehydes 5-[(methylsulfanyl)methyl]-1,3-thiazole-2-carbaldehyde

5-[(methylsulfanyl)methyl]-1,3-thiazole-2-carbaldehyde

CAS No.:
1820618-23-2
Catalog Number:
AG01B9L9
Molecular Formula:
C6H7NOS2
Molecular Weight:
173.2559
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Product Description
Catalog Number:
AG01B9L9
Chemical Name:
5-[(methylsulfanyl)methyl]-1,3-thiazole-2-carbaldehyde
CAS Number:
1820618-23-2
Molecular Formula:
C6H7NOS2
Molecular Weight:
173.2559
MDL Number:
MFCD29033745
IUPAC Name:
5-(methylsulfanylmethyl)-1,3-thiazole-2-carbaldehyde
InChI:
InChI=1S/C6H7NOS2/c1-9-4-5-2-7-6(3-8)10-5/h2-3H,4H2,1H3
InChI Key:
XWAJCKHVMRMGOS-UHFFFAOYSA-N
SMILES:
CSCc1cnc(s1)C=O
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.997g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.248g/mol
Monoisotopic Mass:
172.997g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties