Home Carboxys Methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate

Methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate

CAS No.:
81321-15-5
Catalog Number:
AG008MOR
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$86
- +
5g
98%
In Stock USA
United States
$304
- +
25g
98%
In Stock USA
United States
$873
- +
Product Description
Catalog Number:
AG008MOR
Chemical Name:
Methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate
CAS Number:
81321-15-5
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
MDL Number:
MFCD00052073
IUPAC Name:
methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H7NO2S2/c1-5-3-13-7(8(10)11-2)6(5)9-4-12/h3H,1-2H3
InChI Key:
KPNVCXWHPJMBJP-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)csc1C(=O)OC
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties