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101561-50-6 | Benzene, [[(2-methyl-2-propen-1-yl)thio]methyl]-
CAS No: 101561-50-6 Catalog No: AG0004SE MDL No:
Product Description
Catalog Number:
AG0004SE
Chemical Name:
Benzene, [[(2-methyl-2-propen-1-yl)thio]methyl]-
CAS Number:
101561-50-6
Molecular Formula:
C11H14S
Molecular Weight:
178.2939
IUPAC Name:
2-methylprop-2-enylsulfanylmethylbenzene
InChI:
InChI=1S/C11H14S/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
InChI Key:
VLHHDQFPXFJJAP-UHFFFAOYSA-N
SMILES:
CC(=C)CSCc1ccccc1
Properties
Complexity:
134
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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