Home Carboxys Methyl-2-isothiocyanatothiophene-3-carboxylate

Methyl-2-isothiocyanatothiophene-3-carboxylate

CAS No.:
126637-07-8
Catalog Number:
AG000T0W
Molecular Formula:
C7H5NO2S2
Molecular Weight:
199.2501
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
92%
In Stock USA
United States
$100
- +
1g
92%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG000T0W
Chemical Name:
Methyl-2-isothiocyanatothiophene-3-carboxylate
CAS Number:
126637-07-8
Molecular Formula:
C7H5NO2S2
Molecular Weight:
199.2501
MDL Number:
MFCD03001298
IUPAC Name:
methyl 2-isothiocyanatothiophene-3-carboxylate
InChI:
InChI=1S/C7H5NO2S2/c1-10-7(9)5-2-3-12-6(5)8-4-11/h2-3H,1H3
InChI Key:
YTIYSXJOPAFQPW-UHFFFAOYSA-N
SMILES:
S=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:
198.976g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.242g/mol
Monoisotopic Mass:
198.976g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties