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114232-60-9 | 1-Butene, 2-(ethylthio)-
CAS No: 114232-60-9 Catalog No: AG000AW4 MDL No:
Product Description
Catalog Number:
AG000AW4
Chemical Name:
1-Butene, 2-(ethylthio)-
CAS Number:
114232-60-9
Molecular Formula:
C6H12S
Molecular Weight:
116.2245
IUPAC Name:
2-ethylsulfanylbut-1-ene
InChI:
InChI=1S/C6H12S/c1-4-6(3)7-5-2/h3-5H2,1-2H3
InChI Key:
DBKUZXXHXQUYAL-UHFFFAOYSA-N
SMILES:
CCSC(=C)CC
Properties
Complexity:
57.2
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:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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