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34257-57-3 | 2-(Isopropylthio)-1-methoxybenzene
CAS No: 34257-57-3 Catalog No: AG01EVLT MDL No:MFCD26142712
Product Description
Catalog Number:
AG01EVLT
Chemical Name:
2-(Isopropylthio)-1-methoxybenzene
CAS Number:
34257-57-3
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
MDL Number:
MFCD26142712
IUPAC Name:
1-methoxy-2-propan-2-ylsulfanylbenzene
InChI:
InChI=1S/C10H14OS/c1-8(2)12-10-7-5-4-6-9(10)11-3/h4-8H,1-3H3
InChI Key:
HMEXWXWOVBCHJI-UHFFFAOYSA-N
SMILES:
COc1ccccc1SC(C)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:
182.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.281g/mol
Monoisotopic Mass:
182.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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