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227456-28-2

227456-28-2 | 3-Mercapto-2-methylpentanal

CAS No: 227456-28-2 Catalog No: AG00385F MDL No:

Product Description

Catalog Number:
AG00385F
Chemical Name:
3-Mercapto-2-methylpentanal
CAS Number:
227456-28-2
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
IUPAC Name:
2-methyl-3-sulfanylpentanal
InChI:
InChI=1S/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3
InChI Key:
FSAGSGCELJTQFN-UHFFFAOYSA-N
SMILES:
CCC(C(C=O)C)S
EC Number:
434-910-8
FEMA Number:
3994

Properties

Complexity:
72.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Synthesis and sensorial properties of mercaptoaldehydes. Journal of agricultural and food chemistry 20020925

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