Home Other Building Blocks 2-Isothiocyanato-bicyclo[2.2.1]heptane

2-Isothiocyanato-bicyclo[2.2.1]heptane

CAS No.:
14370-23-1
Catalog Number:
AG001I7F
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
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Product Description
Catalog Number:
AG001I7F
Chemical Name:
2-Isothiocyanato-bicyclo[2.2.1]heptane
CAS Number:
14370-23-1
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD00673182
IUPAC Name:
2-isothiocyanatobicyclo[2.2.1]heptane
InChI:
InChI=1S/C8H11NS/c10-5-9-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2
InChI Key:
RBGDFYZLQKZUCO-UHFFFAOYSA-N
SMILES:
S=C=NC1CC2CC1CC2
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties