Pentane, 2-isothiocyanato-


Chemical Name: Pentane, 2-isothiocyanato-
CAS Number: 201224-94-4
Product Number: AG002DAF(AGN-PC-0JSJ03)
Synonyms:
MDL No:
Molecular Formula: C6H11NS
Molecular Weight: 129.2232

Identification/Properties


Computed Properties
Molecular Weight:
129.221g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
129.061g/mol
Monoisotopic Mass:
129.061g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
94.7
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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