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868755-76-4 | 5-Ethynyl-2,4-dimethylthiazole
CAS No: 868755-76-4 Catalog No: AG004PGT MDL No:MFCD08703598
Product Description
Catalog Number:
AG004PGT
Chemical Name:
5-Ethynyl-2,4-dimethylthiazole
CAS Number:
868755-76-4
Molecular Formula:
C7H7NS
Molecular Weight:
137.2022
MDL Number:
MFCD08703598
IUPAC Name:
5-ethynyl-2,4-dimethyl-1,3-thiazole
InChI:
InChI=1S/C7H7NS/c1-4-7-5(2)8-6(3)9-7/h1H,2-3H3
InChI Key:
RZIRBCJPXVMDCJ-UHFFFAOYSA-N
SMILES:
C#Cc1sc(nc1C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.2g/mol
Monoisotopic Mass:
137.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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