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100045-89-4 | Benzene, [(2,2,3,3-tetramethylcyclopropyl)thio]-
CAS No: 100045-89-4 Catalog No: AG0000NS MDL No:
Product Description
Catalog Number:
AG0000NS
Chemical Name:
Benzene, [(2,2,3,3-tetramethylcyclopropyl)thio]-
CAS Number:
100045-89-4
Molecular Formula:
C13H18S
Molecular Weight:
206.3470
IUPAC Name:
(2,2,3,3-tetramethylcyclopropyl)sulfanylbenzene
InChI:
InChI=1S/C13H18S/c1-12(2)11(13(12,3)4)14-10-8-6-5-7-9-10/h5-9,11H,1-4H3
InChI Key:
IHOCMMHWEWKLHX-UHFFFAOYSA-N
SMILES:
CC1(C)C(C1(C)C)Sc1ccccc1
Properties
Complexity:
197
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:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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