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610279-47-5 | Methanone, 1H-imidazol-2-yl-2-thienyl- (9CI)
CAS No: 610279-47-5 Catalog No: AG00F93S MDL No:MFCD02679401
Product Description
Catalog Number:
AG00F93S
Chemical Name:
Methanone, 1H-imidazol-2-yl-2-thienyl- (9CI)
CAS Number:
610279-47-5
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD02679401
IUPAC Name:
1H-imidazol-2-yl(thiophen-2-yl)methanone
InChI:
InChI=1S/C8H6N2OS/c11-7(6-2-1-5-12-6)8-9-3-4-10-8/h1-5H,(H,9,10)
InChI Key:
GKSXJMYKQBIOCE-UHFFFAOYSA-N
SMILES:
O=C(c1ncc[nH]1)c1cccs1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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