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72437-56-0 | disulfide, isopentyl methyl
CAS No: 72437-56-0 Catalog No: AG005HKO MDL No:
Product Description
Catalog Number:
AG005HKO
Chemical Name:
disulfide, isopentyl methyl
CAS Number:
72437-56-0
Molecular Formula:
C6H14S2
Molecular Weight:
150.3054
IUPAC Name:
3-methyl-1-(methyldisulfanyl)butane
InChI:
InChI=1S/C6H14S2/c1-6(2)4-5-8-7-3/h6H,4-5H2,1-3H3
InChI Key:
XTTOMWDBKHINLK-UHFFFAOYSA-N
SMILES:
CSSCCC(C)C
UNII:
0XDI7Q3QL3
FEMA Number:
4168
Properties
Complexity:
43.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.054g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.298g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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