Home Other Building Blocks 3-isothiocyanatooxolane

3-isothiocyanatooxolane

CAS No.:
1516716-22-5
Catalog Number:
AG01C5QG
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
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Product Description
Catalog Number:
AG01C5QG
Chemical Name:
3-isothiocyanatooxolane
CAS Number:
1516716-22-5
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
MDL Number:
MFCD23975220
IUPAC Name:
3-isothiocyanatooxolane
InChI:
InChI=1S/C5H7NOS/c8-4-6-5-1-2-7-3-5/h5H,1-3H2
InChI Key:
USGDSJYCXCLAFX-UHFFFAOYSA-N
SMILES:
S=C=NC1COCC1
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties