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1741-83-9 | Pentane, 1-(methylthio)-
CAS No: 1741-83-9 Catalog No: AG001ZGQ MDL No:MFCD00027274
Product Description
Catalog Number:
AG001ZGQ
Chemical Name:
Pentane, 1-(methylthio)-
CAS Number:
1741-83-9
Molecular Formula:
C6H14S
Molecular Weight:
118.2404
MDL Number:
MFCD00027274
IUPAC Name:
1-methylsulfanylpentane
InChI:
InChI=1S/C6H14S/c1-3-4-5-6-7-2/h3-6H2,1-2H3
InChI Key:
FOJGPFUFFHWGFQ-UHFFFAOYSA-N
SMILES:
CCCCCSC
NSC Number:
164935
Properties
Complexity:
27.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.082g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.238g/mol
Monoisotopic Mass:
118.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| The seed composition of Arabidopsis mutants for the group 3 sulfate transporters indicates a role in sulfate translocation within developing seeds. | Plant physiology 20101001 |
| Three structurally homologous isothiocyanates exert 'Janus' characteristics in human HepG2 cells. | Environmental and molecular mutagenesis 20090401 |
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