Cycloheptane, isothiocyanato-


Chemical Name: Cycloheptane, isothiocyanato-
CAS Number: 81542-16-7
Product Number: AG00528P(AGN-PC-0KL7HJ)
Synonyms:
MDL No:
Molecular Formula: C8H13NS
Molecular Weight: 155.2605

Identification/Properties


Computed Properties
Molecular Weight:
155.259g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
155.077g/mol
Monoisotopic Mass:
155.077g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
130
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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