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211940-25-9

211940-25-9 | 2-Ethynyl-4-Methylthiazole

CAS No: 211940-25-9 Catalog No: AG00CFUC MDL No:MFCD25960942

Product Description

Catalog Number:
AG00CFUC
Chemical Name:
2-Ethynyl-4-Methylthiazole
CAS Number:
211940-25-9
Molecular Formula:
C6H5NS
Molecular Weight:
123.1756
MDL Number:
MFCD25960942
IUPAC Name:
2-ethynyl-4-methyl-1,3-thiazole
InChI:
InChI=1S/C6H5NS/c1-3-6-7-5(2)4-8-6/h1,4H,2H3
InChI Key:
GXICJSRJEHQZMJ-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)C#C

Properties

Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.014g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.173g/mol
Monoisotopic Mass:
123.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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