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111600-89-6 | Thiazole, 4-ethynyl-
CAS No: 111600-89-6 Catalog No: AG007AD4 MDL No:MFCD18207415
Product Description
Catalog Number:
AG007AD4
Chemical Name:
Thiazole, 4-ethynyl-
CAS Number:
111600-89-6
Molecular Formula:
C5H3NS
Molecular Weight:
109.1490
MDL Number:
MFCD18207415
IUPAC Name:
4-ethynyl-1,3-thiazole
InChI:
InChI=1S/C5H3NS/c1-2-5-3-7-4-6-5/h1,3-4H
InChI Key:
SNNHMXYMKWHUBM-UHFFFAOYSA-N
SMILES:
C#Cc1cscn1
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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