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114564-15-7 | 1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-5-(methylthio)-
CAS No: 114564-15-7 Catalog No: AG000EP7 MDL No:
Product Description
Catalog Number:
AG000EP7
Chemical Name:
1,3-Cyclopentadiene, 1,2,3,4,5-pentamethyl-5-(methylthio)-
CAS Number:
114564-15-7
Molecular Formula:
C11H18S
Molecular Weight:
182.3256
IUPAC Name:
1,2,3,4,5-pentamethyl-5-methylsulfanylcyclopenta-1,3-diene
InChI:
InChI=1S/C11H18S/c1-7-8(2)10(4)11(5,12-6)9(7)3/h1-6H3
InChI Key:
XKQWUNXYSONHQQ-UHFFFAOYSA-N
SMILES:
CSC1(C)C(=C(C(=C1C)C)C)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.113g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.325g/mol
Monoisotopic Mass:
182.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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