Home Other Building Blocks 5-(BROMOMETHYL)-3-PHENYL-1,2,4-THIADIAZOLE

5-(BROMOMETHYL)-3-PHENYL-1,2,4-THIADIAZOLE

CAS No.:
138128-82-2
Catalog Number:
AG01DVZF
Molecular Formula:
C9H7BrN2S
Molecular Weight:
255.1343
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Product Description
Catalog Number:
AG01DVZF
Chemical Name:
5-(BROMOMETHYL)-3-PHENYL-1,2,4-THIADIAZOLE
CAS Number:
138128-82-2
Molecular Formula:
C9H7BrN2S
Molecular Weight:
255.1343
MDL Number:
MFCD25958686
IUPAC Name:
5-(bromomethyl)-3-phenyl-1,2,4-thiadiazole
InChI:
InChI=1S/C9H7BrN2S/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
NBUAKQXELSGMIF-UHFFFAOYSA-N
SMILES:
BrCc1snc(n1)c1ccccc1
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  
Properties