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15345-32-1 | Benzaldehyde, 2,4-bis(methylthio)-
CAS No: 15345-32-1 Catalog No: AG007I8R MDL No:
Product Description
Catalog Number:
AG007I8R
Chemical Name:
Benzaldehyde, 2,4-bis(methylthio)-
CAS Number:
15345-32-1
Molecular Formula:
C9H10OS2
Molecular Weight:
198.3051
IUPAC Name:
2,4-bis(methylsulfanyl)benzaldehyde
InChI:
InChI=1S/C9H10OS2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3
InChI Key:
QSJSJDLNFYZZCY-UHFFFAOYSA-N
SMILES:
CSc1cc(SC)ccc1C=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.298g/mol
Monoisotopic Mass:
198.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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