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


Chemical Name: Benzene, 1-isothiocyanato-2,3-dimethyl-
CAS Number: 1539-20-4
Product Number: AG007XV6(AGN-PC-0JMP8P)
Synonyms:
MDL No:
Molecular Formula: C9H9NS
Molecular Weight: 163.2395

Identification/Properties


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:
172
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

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NMR Spectrum


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