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53606-33-0 | Benzaldehyde, 2-(ethylthio)-
CAS No: 53606-33-0 Catalog No: AG00I9KC MDL No:MFCD18887665
Product Description
Catalog Number:
AG00I9KC
Chemical Name:
Benzaldehyde, 2-(ethylthio)-
CAS Number:
53606-33-0
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD18887665
IUPAC Name:
2-ethylsulfanylbenzaldehyde
InChI:
InChI=1S/C9H10OS/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3
InChI Key:
OTPHHWXZMVMABO-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1C=O
Properties
Complexity:
125
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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