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141033-73-0 | Cyclohexene, 4-(1-methylethenyl)-1-[(methylthio)methyl]-, (S)- (9CI)
CAS No: 141033-73-0 Catalog No: AG001FRT MDL No:
Product Description
Catalog Number:
AG001FRT
Chemical Name:
Cyclohexene, 4-(1-methylethenyl)-1-[(methylthio)methyl]-, (S)- (9CI)
CAS Number:
141033-73-0
Molecular Formula:
C11H18S
Molecular Weight:
182.3256
IUPAC Name:
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
InChI:
InChI=1S/C11H18S/c1-9(2)11-6-4-10(5-7-11)8-12-3/h4,11H,1,5-8H2,2-3H3
InChI Key:
VAPAEDOECNPTLS-UHFFFAOYSA-N
SMILES:
CSCC1=CC[C@H](CC1)C(=C)C
Properties
Complexity:
191
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:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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