Benzene, 2-isothiocyanato-1,3-dimethyl-


Chemical Name: Benzene, 2-isothiocyanato-1,3-dimethyl-
CAS Number: 19241-16-8
Product Number: AG002FXD(AGN-PC-0JLX5D)
Synonyms:
MDL No:
Molecular Formula: C9H9NS
Molecular Weight: 163.2395

Identification/Properties


Properties
BP:
267°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
163.238g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
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:
162
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


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H302-H314-H315-H317-H319-H335
Precautionary Statements:
P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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