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114175-62-1 | Benzene, 1-methoxy-4-[1,2,3-tris(ethylthio)propyl]-
CAS No: 114175-62-1 Catalog No: AG000AQO MDL No:
Product Description
Catalog Number:
AG000AQO
Chemical Name:
Benzene, 1-methoxy-4-[1,2,3-tris(ethylthio)propyl]-
CAS Number:
114175-62-1
Molecular Formula:
C16H26OS3
Molecular Weight:
330.5720
IUPAC Name:
1-methoxy-4-[1,2,3-tris(ethylsulfanyl)propyl]benzene
InChI:
InChI=1S/C16H26OS3/c1-5-18-12-15(19-6-2)16(20-7-3)13-8-10-14(17-4)11-9-13/h8-11,15-16H,5-7,12H2,1-4H3
InChI Key:
ZHRSCOKUZBQLQN-UHFFFAOYSA-N
SMILES:
CCSC(c1ccc(cc1)OC)C(SCC)CSCC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.563g/mol
Monoisotopic Mass:
330.115g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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