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16042-21-0 | 2-methyl-2-(methylthio)propionaldehyde
CAS No: 16042-21-0 Catalog No: AG00B5BB MDL No:MFCD12546918
Product Description
Catalog Number:
AG00B5BB
Chemical Name:
2-methyl-2-(methylthio)propionaldehyde
CAS Number:
16042-21-0
Molecular Formula:
C5H10OS
Molecular Weight:
118.1973
MDL Number:
MFCD12546918
IUPAC Name:
2-methyl-2-methylsulfanylpropanal
InChI:
InChI=1S/C5H10OS/c1-5(2,4-6)7-3/h4H,1-3H3
InChI Key:
DIPLXSBTYRDLGV-UHFFFAOYSA-N
SMILES:
CSC(C=O)(C)C
EC Number:
240-184-1
Properties
Complexity:
68.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.045g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.194g/mol
Monoisotopic Mass:
118.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Application of physiologically based modelling and transcriptomics to probe the systems toxicology of aldicarb for Caenorhabditis elegans (Maupas 1900). | Ecotoxicology (London, England) 20110301 |
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