Butane, 1-isothiocyanato-4-(methylsulfinyl)-, (R)-


Chemical Name: Butane, 1-isothiocyanato-4-(methylsulfinyl)-, (R)-
CAS Number: 142825-10-3
Product Number: AG003RDE(AGN-PC-0PT0RT)
Synonyms:
MDL No:
Molecular Formula: C6H11NOS2
Molecular Weight: 177.2876

Identification/Properties


Properties
Storage:
-10 ℃;
Form:
Liquid
Computed Properties
Molecular Weight:
177.28g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
177.028g/mol
Monoisotopic Mass:
177.028g/mol
Topological Polar Surface Area:
80.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
152
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H334-H335
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P312-P403+P233-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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