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100874-51-9 | Benzene, [2-(hexylthio)ethyl]-
CAS No: 100874-51-9 Catalog No: AG00032B MDL No:
Product Description
Catalog Number:
AG00032B
Chemical Name:
Benzene, [2-(hexylthio)ethyl]-
CAS Number:
100874-51-9
Molecular Formula:
C14H22S
Molecular Weight:
222.3895
IUPAC Name:
2-hexylsulfanylethylbenzene
InChI:
InChI=1S/C14H22S/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
InChI Key:
IWGZNXBEPURQCV-UHFFFAOYSA-N
SMILES:
CCCCCCSCCc1ccccc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.144g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.39g/mol
Monoisotopic Mass:
222.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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