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13640-71-6 | Benzene, [(2-methyl-1-propen-1-yl)thio]-
CAS No: 13640-71-6 Catalog No: AG0011U7 MDL No:MFCD01151754
Product Description
Catalog Number:
AG0011U7
Chemical Name:
Benzene, [(2-methyl-1-propen-1-yl)thio]-
CAS Number:
13640-71-6
Molecular Formula:
C10H12S
Molecular Weight:
164.2673
MDL Number:
MFCD01151754
IUPAC Name:
2-methylprop-1-enylsulfanylbenzene
InChI:
InChI=1S/C10H12S/c1-9(2)8-11-10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
UVHYYIMOVRGUFO-UHFFFAOYSA-N
SMILES:
CC(=CSc1ccccc1)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.266g/mol
Monoisotopic Mass:
164.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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