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Home > Imidazoles > 1249302-29-1
1249302-29-1 | 1-(PROP-2-YN-1-YL)-2-(THIOPHEN-2-YL)-1H-IMIDAZOLE
CAS No: 1249302-29-1 Catalog No: AG01DSW3 MDL No:MFCD16128249
Product Description
Catalog Number:
AG01DSW3
Chemical Name:
1-(PROP-2-YN-1-YL)-2-(THIOPHEN-2-YL)-1H-IMIDAZOLE
CAS Number:
1249302-29-1
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
MDL Number:
MFCD16128249
IUPAC Name:
1-prop-2-ynyl-2-thiophen-2-ylimidazole
InChI:
InChI=1S/C10H8N2S/c1-2-6-12-7-5-11-10(12)9-4-3-8-13-9/h1,3-5,7-8H,6H2
InChI Key:
FIIAWRHGDCGLAY-UHFFFAOYSA-N
SMILES:
C#CCn1ccnc1c1cccs1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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