Carbamic acid, (5-isothiocyanatopentyl)-, 1,1-dimethylethyl ester


Chemical Name: Carbamic acid, (5-isothiocyanatopentyl)-, 1,1-dimethylethyl ester
CAS Number: 347890-46-4
Product Number: AG00C679(AGN-PC-0KSQ5H)
Synonyms:
MDL No:
Molecular Formula: C11H20N2O2S
Molecular Weight: 244.3537

Identification/Properties


Computed Properties
Molecular Weight:
244.353g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
244.125g/mol
Monoisotopic Mass:
244.125g/mol
Topological Polar Surface Area:
82.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
255
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


NMR Spectrum


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