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1154-62-7 | 2H-Thieno[3,2-b]pyrrol-3(4H)-one, 2-benzylidene-6-[(dimethylamino)methyl]- (7CI,8CI)
CAS No: 1154-62-7 Catalog No: AG000FYL MDL No:
Product Description
Catalog Number:
AG000FYL
Chemical Name:
2H-Thieno[3,2-b]pyrrol-3(4H)-one, 2-benzylidene-6-[(dimethylamino)methyl]- (7CI,8CI)
CAS Number:
1154-62-7
Molecular Formula:
C16H16N2OS
Molecular Weight:
284.3760
IUPAC Name:
2-benzylidene-6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrol-3-one
InChI:
InChI=1S/C16H16N2OS/c1-18(2)10-12-9-17-14-15(19)13(20-16(12)14)8-11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3
InChI Key:
BEUQSHHFORBOIR-UHFFFAOYSA-N
SMILES:
CN(Cc1c[nH]c2c1SC(=Cc1ccccc1)C2=O)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.377g/mol
Monoisotopic Mass:
284.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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