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1342100-58-6

1342100-58-6 | 3-ethynyl-N-(1,3-thiazol-5-ylmethyl)aniline

CAS No: 1342100-58-6 Catalog No: AG01AV6U MDL No:MFCD16865318

Product Description

Catalog Number:
AG01AV6U
Chemical Name:
3-ethynyl-N-(1,3-thiazol-5-ylmethyl)aniline
CAS Number:
1342100-58-6
Molecular Formula:
C12H10N2S
Molecular Weight:
214.2862
MDL Number:
MFCD16865318
IUPAC Name:
3-ethynyl-N-(1,3-thiazol-5-ylmethyl)aniline
InChI:
InChI=1S/C12H10N2S/c1-2-10-4-3-5-11(6-10)14-8-12-7-13-9-15-12/h1,3-7,9,14H,8H2
InChI Key:
QEQJEIDRSCYIRS-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NCc1cncs1

Properties

Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.286g/mol
Monoisotopic Mass:
214.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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