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68642-64-8 | 2-(methyldithio)isobutyraldehyde
CAS No: 68642-64-8 Catalog No: AG00628V MDL No:MFCD00055108
Product Description
Catalog Number:
AG00628V
Chemical Name:
2-(methyldithio)isobutyraldehyde
CAS Number:
68642-64-8
Molecular Formula:
C5H10OS2
Molecular Weight:
150.2623
MDL Number:
MFCD00055108
IUPAC Name:
2-(aminomethyl)-5-hydroxypyran-4-one
InChI:
InChI=1S/C6H7NO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2,7H2
InChI Key:
AULIQBZSRZXJJU-UHFFFAOYSA-N
SMILES:
CSSC(C=O)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Benzodiazepine modulation of partial agonist efficacy and spontaneously active GABA(A) receptors supports an allosteric model of modulation. | British journal of pharmacology 20050801 |
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