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100258-36-4 | Benzene, [(cyclopentylmethyl)thio]-
CAS No: 100258-36-4 Catalog No: AG0001ER MDL No:
Product Description
Catalog Number:
AG0001ER
Chemical Name:
Benzene, [(cyclopentylmethyl)thio]-
CAS Number:
100258-36-4
Molecular Formula:
C12H16S
Molecular Weight:
192.3204
IUPAC Name:
cyclopentylmethylsulfanylbenzene
InChI:
InChI=1S/C12H16S/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h1-3,8-9,11H,4-7,10H2
InChI Key:
CMPRNSUETKJLSX-UHFFFAOYSA-N
SMILES:
C1CCC(C1)CSc1ccccc1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.32g/mol
Monoisotopic Mass:
192.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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