Benzene, [(1S)-1-isothiocyanatoethyl]-


Chemical Name: Benzene, [(1S)-1-isothiocyanatoethyl]-
CAS Number: 24277-43-8
Product Number: AG003R7C(AGN-PC-0O85Z9)
Synonyms:
MDL No:
Molecular Formula: C9H9NS
Molecular Weight: 163.23946

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
163.238g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
163.046g/mol
Monoisotopic Mass:
163.046g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
155
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#:
2810
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P321-P322-P330-P361-P363-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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