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15811-13-9 | 4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, 6-[(dimethylamino)methyl]-, ethyl ester
CAS No: 15811-13-9 Catalog No: AG001PZI MDL No:
Product Description
Catalog Number:
AG001PZI
Chemical Name:
4H-Thieno[3,2-b]pyrrole-5-carboxylic acid, 6-[(dimethylamino)methyl]-, ethyl ester
CAS Number:
15811-13-9
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
IUPAC Name:
ethyl 6-[(dimethylamino)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
InChI:
InChI=1S/C12H16N2O2S/c1-4-16-12(15)10-8(7-14(2)3)11-9(13-10)5-6-17-11/h5-6,13H,4,7H2,1-3H3
InChI Key:
YCYZWCLFMYRGQT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1CN(C)C)scc2
NSC Number:
157828
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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