Home Carbonyls thiophene-2-carbonyl isocyanate

thiophene-2-carbonyl isocyanate

CAS No.:
4753-94-0
Catalog Number:
AG019NBR
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
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Product Description
Catalog Number:
AG019NBR
Chemical Name:
thiophene-2-carbonyl isocyanate
CAS Number:
4753-94-0
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
MDL Number:
MFCD09815710
IUPAC Name:
thiophene-2-carbonyl isocyanate
InChI:
InChI=1S/C6H3NO2S/c8-4-7-6(9)5-2-1-3-10-5/h1-3H
InChI Key:
AGXGGAVHNIUTIJ-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)c1cccs1
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.988g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.155g/mol
Monoisotopic Mass:
152.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties