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260548-20-7 | Benzene, [(3,4-dimethyl-3-penten-1-yl)thio]-
CAS No: 260548-20-7 Catalog No: AG002RIX MDL No:
Product Description
Catalog Number:
AG002RIX
Chemical Name:
Benzene, [(3,4-dimethyl-3-penten-1-yl)thio]-
CAS Number:
260548-20-7
Molecular Formula:
C13H18S
Molecular Weight:
206.3470
IUPAC Name:
3,4-dimethylpent-3-enylsulfanylbenzene
InChI:
InChI=1S/C13H18S/c1-11(2)12(3)9-10-14-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChI Key:
XMHFAQDEQORVNI-UHFFFAOYSA-N
SMILES:
CC(=C(C)C)CCSc1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.347g/mol
Monoisotopic Mass:
206.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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