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116204-90-1 | Benzene, [(1-methoxy-4-methyl-3-penten-1-yl)thio]-
CAS No: 116204-90-1 Catalog No: AG000BW9 MDL No:
Product Description
Catalog Number:
AG000BW9
Chemical Name:
Benzene, [(1-methoxy-4-methyl-3-penten-1-yl)thio]-
CAS Number:
116204-90-1
Molecular Formula:
C13H18OS
Molecular Weight:
222.3464
IUPAC Name:
(1-methoxy-4-methylpent-3-enyl)sulfanylbenzene
InChI:
InChI=1S/C13H18OS/c1-11(2)9-10-13(14-3)15-12-7-5-4-6-8-12/h4-9,13H,10H2,1-3H3
InChI Key:
UWDYUQGUZCBIRU-UHFFFAOYSA-N
SMILES:
COC(Sc1ccccc1)CC=C(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.346g/mol
Monoisotopic Mass:
222.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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