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87656-51-7 | Cyclopentene, 1-isothiocyanato-
CAS No: 87656-51-7 Catalog No: AG004O0Y MDL No:
Product Description
Catalog Number:
AG004O0Y
Chemical Name:
Cyclopentene, 1-isothiocyanato-
CAS Number:
87656-51-7
Molecular Formula:
C6H7NS
Molecular Weight:
125.1915
IUPAC Name:
1-isothiocyanatocyclopentene
InChI:
InChI=1S/C6H7NS/c8-5-7-6-3-1-2-4-6/h3H,1-2,4H2
InChI Key:
JMMADHLORMSPBX-UHFFFAOYSA-N
SMILES:
S=C=NC1=CCCC1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.03g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.189g/mol
Monoisotopic Mass:
125.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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