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201814-65-5 | 1,3-Cyclohexadiene, 1,3,5-trimethyl-6-methylene-5-[(methylthio)methyl]-
CAS No: 201814-65-5 Catalog No: AG0027UT MDL No:
Product Description
Catalog Number:
AG0027UT
Chemical Name:
1,3-Cyclohexadiene, 1,3,5-trimethyl-6-methylene-5-[(methylthio)methyl]-
CAS Number:
201814-65-5
Molecular Formula:
C12H18S
Molecular Weight:
194.3363
IUPAC Name:
1,3,5-trimethyl-6-methylidene-5-(methylsulfanylmethyl)cyclohexa-1,3-diene
InChI:
InChI=1S/C12H18S/c1-9-6-10(2)11(3)12(4,7-9)8-13-5/h6-7H,3,8H2,1-2,4-5H3
InChI Key:
BTIFPWYAZJAXCS-UHFFFAOYSA-N
SMILES:
CSCC1(C)C=C(C)C=C(C1=C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.336g/mol
Monoisotopic Mass:
194.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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