Butane, 1-isothiocyanato-4-(methylsulfonyl)-


Chemical Name: Butane, 1-isothiocyanato-4-(methylsulfonyl)-
CAS Number: 504-84-7
Product Number: AG00DFLB(AGN-PC-0KOYUN)
Synonyms:
MDL No:
Molecular Formula: C6H11NO2S2
Molecular Weight: 193.2870

Identification/Properties


Computed Properties
Molecular Weight:
193.279g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
193.023g/mol
Monoisotopic Mass:
193.023g/mol
Topological Polar Surface Area:
87A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
234
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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