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75238-62-9 | Benzene, [[(1-methyl-2-propenyl)thio]methyl]-
CAS No: 75238-62-9 Catalog No: AG005CNO MDL No:
Product Description
Catalog Number:
AG005CNO
Chemical Name:
Benzene, [[(1-methyl-2-propenyl)thio]methyl]-
CAS Number:
75238-62-9
Molecular Formula:
C11H14S
Molecular Weight:
178.2939
IUPAC Name:
but-3-en-2-ylsulfanylmethylbenzene
InChI:
InChI=1S/C11H14S/c1-3-10(2)12-9-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3
InChI Key:
VUNVVSFCYUGONX-UHFFFAOYSA-N
SMILES:
C=CC(SCc1ccccc1)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.082g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.293g/mol
Monoisotopic Mass:
178.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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