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114950-28-6 | Benzoyl azide, 2-[(2-thienylmethyl)thio]-
CAS No: 114950-28-6 Catalog No: AG000FH9 MDL No:
Product Description
Catalog Number:
AG000FH9
Chemical Name:
Benzoyl azide, 2-[(2-thienylmethyl)thio]-
CAS Number:
114950-28-6
Molecular Formula:
C12H9N3OS2
Molecular Weight:
275.3494
IUPAC Name:
2-(thiophen-2-ylmethylsulfanyl)benzoyl azide
InChI:
InChI=1S/C12H9N3OS2/c13-15-14-12(16)10-5-1-2-6-11(10)18-8-9-4-3-7-17-9/h1-7H,8H2
InChI Key:
IGTKDUGJHHBMKK-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)c1ccccc1SCc1cccs1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.344g/mol
Monoisotopic Mass:
275.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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