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10276-06-9 | 2-Butene, 1-(ethylthio)-3-methyl-
CAS No: 10276-06-9 Catalog No: AG0008BB MDL No:
Product Description
Catalog Number:
AG0008BB
Chemical Name:
2-Butene, 1-(ethylthio)-3-methyl-
CAS Number:
10276-06-9
Molecular Formula:
C7H14S
Molecular Weight:
130.2511
IUPAC Name:
1-ethylsulfanyl-3-methylbut-2-ene
InChI:
InChI=1S/C7H14S/c1-4-8-6-5-7(2)3/h5H,4,6H2,1-3H3
InChI Key:
KHRYUIXUVVDGIZ-UHFFFAOYSA-N
SMILES:
CCSCC=C(C)C
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.082g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.249g/mol
Monoisotopic Mass:
130.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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