Home Other Building Blocks DIETHYL 2-[(3-THIENYLAMINO)METHYLIDENE!MALONATE

DIETHYL 2-[(3-THIENYLAMINO)METHYLIDENE!MALONATE

CAS No.:
65076-02-0
Catalog Number:
AG00ETNR
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
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Product Description
Catalog Number:
AG00ETNR
Chemical Name:
DIETHYL 2-[(3-THIENYLAMINO)METHYLIDENE!MALONATE
CAS Number:
65076-02-0
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD00122043
IUPAC Name:
diethyl 2-[(thiophen-3-ylamino)methylidene]propanedioate
InChI:
InChI=1S/C12H15NO4S/c1-3-16-11(14)10(12(15)17-4-2)7-13-9-5-6-18-8-9/h5-8,13H,3-4H2,1-2H3
InChI Key:
MVTXURCRYVWETP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1cscc1)C(=O)OCC
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties