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1443-75-0 | 2H-Thieno[3,2-b]pyrrol-3(4H)-one, 2-benzylidene- (7CI,8CI)
CAS No: 1443-75-0 Catalog No: AG001JAG MDL No:
Product Description
Catalog Number:
AG001JAG
Chemical Name:
2H-Thieno[3,2-b]pyrrol-3(4H)-one, 2-benzylidene- (7CI,8CI)
CAS Number:
1443-75-0
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
IUPAC Name:
2-benzylidene-4H-thieno[3,2-b]pyrrol-3-one
InChI:
InChI=1S/C13H9NOS/c15-13-11(8-9-4-2-1-3-5-9)16-10-6-7-14-12(10)13/h1-8,14H
InChI Key:
KQCXLNZGVDLLSJ-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccccc2)Sc2c1[nH]cc2
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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