Benzene, (4-isothiocyanatobutyl)-


Chemical Name: Benzene, (4-isothiocyanatobutyl)-
CAS Number: 61499-10-3
Product Number: AG00EE4G(AGN-PC-0JLP0R)
Synonyms:
MDL No:
Molecular Formula: C11H13NS
Molecular Weight: 191.2926

Identification/Properties


Computed Properties
Molecular Weight:
191.292g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
191.077g/mol
Monoisotopic Mass:
191.077g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
167
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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