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24653-47-2 | 1-Butene, 3,3-dimethyl-2-(methylthio)-
CAS No: 24653-47-2 Catalog No: AG002OYO MDL No:
Product Description
Catalog Number:
AG002OYO
Chemical Name:
1-Butene, 3,3-dimethyl-2-(methylthio)-
CAS Number:
24653-47-2
Molecular Formula:
C7H14S
Molecular Weight:
130.2511
IUPAC Name:
3,3-dimethyl-2-methylsulfanylbut-1-ene
InChI:
InChI=1S/C7H14S/c1-6(8-5)7(2,3)4/h1H2,2-5H3
InChI Key:
KNHKAJNWYIJDJH-UHFFFAOYSA-N
SMILES:
CSC(=C)C(C)(C)C
Properties
Complexity:
87.1
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:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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