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Home > Imidazoles > 20112-79-2
20112-79-2 | 1H-Imidazole, 4,5-dihydro-2-(methylthio)-
CAS No: 20112-79-2 Catalog No: AG002D7O MDL No:MFCD00065015
Product Description
Catalog Number:
AG002D7O
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-(methylthio)-
CAS Number:
20112-79-2
Molecular Formula:
C4H8N2S
Molecular Weight:
116.1847
MDL Number:
MFCD00065015
IUPAC Name:
2-methylsulfanyl-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C4H8N2S/c1-7-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)
InChI Key:
MTIMDGQILFWMJI-UHFFFAOYSA-N
SMILES:
CSC1=NCCN1
EC Number:
243-520-5
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.041g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.182g/mol
Monoisotopic Mass:
116.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Mesoporous hybrid materials containing nanoscopic 'binding pockets' for colorimetric anion signaling in water by using displacement assays. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090914 |
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