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880132-52-5 | Benzenemethanethiol, 4-[(4-azidophenyl)ethynyl]-
CAS No: 880132-52-5 Catalog No: AG004GOQ MDL No:
Product Description
Catalog Number:
AG004GOQ
Chemical Name:
Benzenemethanethiol, 4-[(4-azidophenyl)ethynyl]-
CAS Number:
880132-52-5
Molecular Formula:
C15H11N3S
Molecular Weight:
265.3329
IUPAC Name:
[4-[2-(4-azidophenyl)ethynyl]phenyl]methanethiol
InChI:
InChI=1S/C15H11N3S/c16-18-17-15-9-7-13(8-10-15)2-1-12-3-5-14(11-19)6-4-12/h3-10,19H,11H2
InChI Key:
LNAYROZPUUNKPM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C#Cc1ccc(cc1)CS
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.334g/mol
Monoisotopic Mass:
265.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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