Home Other Building Blocks 5-ethynyl-2,3-dimethylthiophene

5-ethynyl-2,3-dimethylthiophene

CAS No.:
1057670-09-3
Catalog Number:
AG01BH0C
Molecular Formula:
C8H8S
Molecular Weight:
136.2141
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Product Description
Catalog Number:
AG01BH0C
Chemical Name:
5-ethynyl-2,3-dimethylthiophene
CAS Number:
1057670-09-3
Molecular Formula:
C8H8S
Molecular Weight:
136.2141
MDL Number:
MFCD08703552
IUPAC Name:
5-ethynyl-2,3-dimethylthiophene
InChI:
InChI=1S/C8H8S/c1-4-8-5-6(2)7(3)9-8/h1,5H,2-3H3
InChI Key:
OXWCQTQEXFTXDS-UHFFFAOYSA-N
SMILES:
C#Cc1sc(c(c1)C)C
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.035g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.212g/mol
Monoisotopic Mass:
136.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties