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89534-74-7 | 2-METHYL-1-METHYLTHIO-2-BUTENE
CAS No: 89534-74-7 Catalog No: AG0040KB MDL No:MFCD28975960
Product Description
Catalog Number:
AG0040KB
Chemical Name:
2-METHYL-1-METHYLTHIO-2-BUTENE
CAS Number:
89534-74-7
Molecular Formula:
C6H12S
Molecular Weight:
116.2245
MDL Number:
MFCD28975960
IUPAC Name:
2-methyl-1-methylsulfanylbut-2-ene
InChI:
InChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3
InChI Key:
PBWZEERIWACABP-UHFFFAOYSA-N
SMILES:
CSCC(=CC)C
FEMA Number:
4173
Properties
Complexity:
64.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.066g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.222g/mol
Monoisotopic Mass:
116.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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