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7401-37-8 | (benzylsulfanyl)acetaldehyde
CAS No: 7401-37-8 Catalog No: AG005A22 MDL No:MFCD16096691
Product Description
Catalog Number:
AG005A22
Chemical Name:
(benzylsulfanyl)acetaldehyde
CAS Number:
7401-37-8
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD16096691
IUPAC Name:
2-benzylsulfanylacetaldehyde
InChI:
InChI=1S/C9H10OS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
InChI Key:
DVXJHLBTPJVZEA-UHFFFAOYSA-N
SMILES:
O=CCSCc1ccccc1
NSC Number:
54607
Properties
Complexity:
108
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:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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