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161063-30-5 | CYCLOBUTANECARBONYL ISOTHIOCYANATE
CAS No: 161063-30-5 Catalog No: AG001VMM MDL No:
Product Description
Catalog Number:
AG001VMM
Chemical Name:
CYCLOBUTANECARBONYL ISOTHIOCYANATE
CAS Number:
161063-30-5
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
cyclobutanecarbonyl isothiocyanate
InChI:
InChI=1S/C6H7NOS/c8-6(7-4-9)5-2-1-3-5/h5H,1-3H2
InChI Key:
WRAJOIZBVFOQNE-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)C1CCC1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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