Home Other Building Blocks 3-ISOCYANATO-2,3-DIHYDROTHIOPHENE 1,1-DIOXIDE

3-ISOCYANATO-2,3-DIHYDROTHIOPHENE 1,1-DIOXIDE

CAS No.:
61308-98-3
Catalog Number:
AG01AQ5K
Molecular Formula:
C5H5NO3S
Molecular Weight:
159.1631
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Product Description
Catalog Number:
AG01AQ5K
Chemical Name:
3-ISOCYANATO-2,3-DIHYDROTHIOPHENE 1,1-DIOXIDE
CAS Number:
61308-98-3
Molecular Formula:
C5H5NO3S
Molecular Weight:
159.1631
MDL Number:
MFCD03037886
IUPAC Name:
3-isocyanato-2,3-dihydrothiophene 1,1-dioxide
InChI:
InChI=1S/C5H5NO3S/c7-4-6-5-1-2-10(8,9)3-5/h1-2,5H,3H2
InChI Key:
VKJXCKZNXWROIV-UHFFFAOYSA-N
SMILES:
O=C=NC1C=CS(=O)(=O)C1
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.999g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.159g/mol
Monoisotopic Mass:
158.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties