Base information

Cat. No.
CAS No.31430-38-3
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H6BrN3S
Molecular Weight 232.101
Exact Mass 230.947
XLogP3 2.2729
Mr 51.7411
PSA 83.03
Sequence -
Atom number 17
Bond number 17
Ring number 1
Rotor number 2
Residues number 0
Canonical smiles NC(=S)Nc1ccc(cn1)Br

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