Home Other Building Blocks 3-(isothiocyanatomethyl)oxolane

3-(isothiocyanatomethyl)oxolane

CAS No.:
1341206-58-3
Catalog Number:
AG01A1U3
Molecular Formula:
C6H9NOS
Molecular Weight:
143.2068
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Product Description
Catalog Number:
AG01A1U3
Chemical Name:
3-(isothiocyanatomethyl)oxolane
CAS Number:
1341206-58-3
Molecular Formula:
C6H9NOS
Molecular Weight:
143.2068
MDL Number:
MFCD17227656
IUPAC Name:
3-(isothiocyanatomethyl)oxolane
InChI:
InChI=1S/C6H9NOS/c9-5-7-3-6-1-2-8-4-6/h6H,1-4H2
InChI Key:
NIVJYFSASBKLNY-UHFFFAOYSA-N
SMILES:
S=C=NCC1COCC1
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.04g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.204g/mol
Monoisotopic Mass:
143.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties