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872122-41-3 | Thiazole, 5-ethynyl-
CAS No: 872122-41-3 Catalog No: AG004N24 MDL No:MFCD16878697
Product Description
Catalog Number:
AG004N24
Chemical Name:
Thiazole, 5-ethynyl-
CAS Number:
872122-41-3
Molecular Formula:
C5H3NS
Molecular Weight:
109.1490
MDL Number:
MFCD16878697
IUPAC Name:
5-ethynyl-1,3-thiazole
InChI:
InChI=1S/C5H3NS/c1-2-5-3-6-4-7-5/h1,3-4H
InChI Key:
JWFJFVXHZUVMSF-UHFFFAOYSA-N
SMILES:
C#Cc1cncs1
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.999g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.146g/mol
Monoisotopic Mass:
108.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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