Home Other Building Blocks 1-isothiocyanato-2,2-dimethylpropane

1-isothiocyanato-2,2-dimethylpropane

CAS No.:
25343-65-1
Catalog Number:
AG01C5K9
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
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Product Description
Catalog Number:
AG01C5K9
Chemical Name:
1-isothiocyanato-2,2-dimethylpropane
CAS Number:
25343-65-1
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
MDL Number:
MFCD00046822
IUPAC Name:
1-isothiocyanato-2,2-dimethylpropane
InChI:
InChI=1S/C6H11NS/c1-6(2,3)4-7-5-8/h4H2,1-3H3
InChI Key:
RNMOLQDSODXHBY-UHFFFAOYSA-N
SMILES:
S=C=NCC(C)(C)C
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.061g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.221g/mol
Monoisotopic Mass:
129.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties