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84033-03-4 | Benzothiazole, 5-ethynyl-2-(4-ethynylphenyl)-
CAS No: 84033-03-4 Catalog No: AG0050OB MDL No:
Product Description
Catalog Number:
AG0050OB
Chemical Name:
Benzothiazole, 5-ethynyl-2-(4-ethynylphenyl)-
CAS Number:
84033-03-4
Molecular Formula:
C17H9NS
Molecular Weight:
259.3251
IUPAC Name:
5-ethynyl-2-(4-ethynylphenyl)-1,3-benzothiazole
InChI:
InChI=1S/C17H9NS/c1-3-12-5-8-14(9-6-12)17-18-15-11-13(4-2)7-10-16(15)19-17/h1-2,5-11H
InChI Key:
SWMLCZDFIWORTI-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)c1nc2c(s1)ccc(c2)C#C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.326g/mol
Monoisotopic Mass:
259.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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