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24920-40-9 | Benzene, 2-(butylthio)-1,4-dimethoxy-
CAS No: 24920-40-9 Catalog No: AG002PVQ MDL No:
Product Description
Catalog Number:
AG002PVQ
Chemical Name:
Benzene, 2-(butylthio)-1,4-dimethoxy-
CAS Number:
24920-40-9
Molecular Formula:
C12H18O2S
Molecular Weight:
226.3351
IUPAC Name:
2-butylsulfanyl-1,4-dimethoxybenzene
InChI:
InChI=1S/C12H18O2S/c1-4-5-8-15-12-9-10(13-2)6-7-11(12)14-3/h6-7,9H,4-5,8H2,1-3H3
InChI Key:
SYVBNBNOXZNPKM-UHFFFAOYSA-N
SMILES:
CCCCSc1cc(OC)ccc1OC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.334g/mol
Monoisotopic Mass:
226.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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