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156866-51-2

156866-51-2 | 3-(S-acetylthiomethyl)benzaldehyde

CAS No: 156866-51-2 Catalog No: AG00ARYV MDL No:

Product Description

Catalog Number:
AG00ARYV
Chemical Name:
3-(S-acetylthiomethyl)benzaldehyde
CAS Number:
156866-51-2
IUPAC Name:
S-[(3-formylphenyl)methyl] ethanethioate
InChI:
InChI=1S/C10H10O2S/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-6H,7H2,1H3
InChI Key:
LWKSUVIKHPGKJJ-UHFFFAOYSA-N

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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