Benzene, 1-isothiocyanato-2-(1-methylethyl)-


Chemical Name: Benzene, 1-isothiocyanato-2-(1-methylethyl)-
CAS Number: 36176-31-5
Product Number: AG003HHW(AGN-PC-0JMSDY)
Synonyms:
MDL No:
Molecular Formula: C10H11NS
Molecular Weight: 177.2660

Identification/Properties


Computed Properties
Molecular Weight:
177.265g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
177.061g/mol
Monoisotopic Mass:
177.061g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
182
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#:
2810
Hazard Statements:
H301-H311-H315-H319-H331-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P311-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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