Home Halogens 2-benzyl-5-bromo-1,3,4-thiadiazole

2-benzyl-5-bromo-1,3,4-thiadiazole

CAS No.:
412923-43-4
Catalog Number:
AG01A6GQ
Molecular Formula:
C9H7BrN2S
Molecular Weight:
255.1343
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Product Description
Catalog Number:
AG01A6GQ
Chemical Name:
2-benzyl-5-bromo-1,3,4-thiadiazole
CAS Number:
412923-43-4
Molecular Formula:
C9H7BrN2S
Molecular Weight:
255.1343
MDL Number:
MFCD09965541
IUPAC Name:
2-benzyl-5-bromo-1,3,4-thiadiazole
InChI:
InChI=1S/C9H7BrN2S/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
QOXNROCBRTYLFA-UHFFFAOYSA-N
SMILES:
Brc1nnc(s1)Cc1ccccc1
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.951g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.133g/mol
Monoisotopic Mass:
253.951g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties