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PENTYL ISOTHIOCYANATE

CAS No.:
629-12-9
Catalog Number:
AG00E9JB
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
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Product Description
Catalog Number:
AG00E9JB
Chemical Name:
PENTYL ISOTHIOCYANATE
CAS Number:
629-12-9
Molecular Formula:
C6H11NS
Molecular Weight:
129.2232
MDL Number:
MFCD00014444
IUPAC Name:
1-isothiocyanatopentane
InChI:
InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
InChI Key:
SGHJUJBYMSVAJY-UHFFFAOYSA-N
SMILES:
CCCCCN=C=S
EC Number:
211-075-6
UNII:
KL6U8NL15R
FEMA Number:
4417
Properties
Complexity:
84.5  
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:
4  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Synthesis and antiproliferative activity of novel α- and β-dialkoxyphosphoryl isothiocyanates. Bioorganic & medicinal chemistry letters 20110801
Properties