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84264-99-3 | Benzaldehyde, 4-[(1-methylethyl)thio]-
CAS No: 84264-99-3 Catalog No: AG004YPL MDL No:MFCD18887933
Product Description
Catalog Number:
AG004YPL
Chemical Name:
Benzaldehyde, 4-[(1-methylethyl)thio]-
CAS Number:
84264-99-3
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
MDL Number:
MFCD18887933
IUPAC Name:
4-propan-2-ylsulfanylbenzaldehyde
InChI:
InChI=1S/C10H12OS/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChI Key:
SIPXRBLFWCFUIE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)SC(C)C
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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