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111371-26-7 | 1H-Thieno[3,4-d]imidazole, 2-[[(4-methoxy-2-pyridinyl)methyl]sulfinyl]-
CAS No: 111371-26-7 Catalog No: AG007T5C MDL No:
Product Description
Catalog Number:
AG007T5C
Chemical Name:
1H-Thieno[3,4-d]imidazole, 2-[[(4-methoxy-2-pyridinyl)methyl]sulfinyl]-
CAS Number:
111371-26-7
Molecular Formula:
C12H11N3O2S2
Molecular Weight:
293.3646
IUPAC Name:
2-[(4-methoxypyridin-2-yl)methylsulfinyl]-1H-thieno[3,4-d]imidazole
InChI:
InChI=1S/C12H11N3O2S2/c1-17-9-2-3-13-8(4-9)7-19(16)12-14-10-5-18-6-11(10)15-12/h2-6H,7H2,1H3,(H,14,15)
InChI Key:
YHQTXIPXCODMTK-UHFFFAOYSA-N
SMILES:
COc1ccnc(c1)CS(=O)c1[nH]c2c(n1)csc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.029g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.359g/mol
Monoisotopic Mass:
293.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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