Home Carboxys Methyl 2-isocyanatothiophene-3-carboxylate

Methyl 2-isocyanatothiophene-3-carboxylate

CAS No.:
50502-27-7
Catalog Number:
AG00E1DA
Molecular Formula:
C7H5NO3S
Molecular Weight:
183.1845
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$1136
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Product Description
Catalog Number:
AG00E1DA
Chemical Name:
Methyl 2-isocyanatothiophene-3-carboxylate
CAS Number:
50502-27-7
Molecular Formula:
C7H5NO3S
Molecular Weight:
183.1845
MDL Number:
MFCD09971935
IUPAC Name:
methyl 2-isocyanatothiophene-3-carboxylate
InChI:
InChI=1S/C7H5NO3S/c1-11-7(10)5-2-3-12-6(5)8-4-9/h2-3H,1H3
InChI Key:
DSDVOLIIBFICQJ-UHFFFAOYSA-N
SMILES:
O=C=Nc1sccc1C(=O)OC
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.181g/mol
Monoisotopic Mass:
182.999g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties