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114232-59-6

114232-59-6 | 1-Butene, 2-(ethylthio)-3-methyl-

CAS No: 114232-59-6 Catalog No: AG000AW5 MDL No:

Product Description

Catalog Number:
AG000AW5
Chemical Name:
1-Butene, 2-(ethylthio)-3-methyl-
CAS Number:
114232-59-6
Molecular Formula:
C7H14S
Molecular Weight:
130.2511
IUPAC Name:
2-ethylsulfanyl-3-methylbut-1-ene
InChI:
InChI=1S/C7H14S/c1-5-8-7(4)6(2)3/h6H,4-5H2,1-3H3
InChI Key:
PWOZNERNVFOHSN-UHFFFAOYSA-N
SMILES:
CCSC(=C)C(C)C

Properties

Complexity:
74.5  
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:
2.9  

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