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41208-03-1 | 2-[(4-methylphenyl)sulfanyl]acetaldehyde
CAS No: 41208-03-1 Catalog No: AG01BXRW MDL No:MFCD11585668
Product Description
Catalog Number:
AG01BXRW
Chemical Name:
2-[(4-methylphenyl)sulfanyl]acetaldehyde
CAS Number:
41208-03-1
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD11585668
IUPAC Name:
2-(4-methylphenyl)sulfanylacetaldehyde
InChI:
InChI=1S/C9H10OS/c1-8-2-4-9(5-3-8)11-7-6-10/h2-6H,7H2,1H3
InChI Key:
RTAKPQOQTJZWBG-UHFFFAOYSA-N
SMILES:
O=CCSc1ccc(cc1)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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