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85716-85-4 | ETHYL 2-ISOTHIOCYANATO-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE
CAS No: 85716-85-4 Catalog No: AG004POX MDL No:MFCD04969625
Product Description
Catalog Number:
AG004POX
Chemical Name:
ETHYL 2-ISOTHIOCYANATO-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE
CAS Number:
85716-85-4
Molecular Formula:
C10H11NO2S2
Molecular Weight:
241.3298
MDL Number:
MFCD04969625
IUPAC Name:
ethyl 2-isothiocyanato-4,5-dimethylthiophene-3-carboxylate
InChI:
InChI=1S/C10H11NO2S2/c1-4-13-10(12)8-6(2)7(3)15-9(8)11-5-14/h4H2,1-3H3
InChI Key:
ONDWCCQQWAIQRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N=C=S)sc(c1C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.323g/mol
Monoisotopic Mass:
241.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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