2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]anilino]propane-2-thiol
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![2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]anilino]propane-2-thiol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e3fe2e646cf94428b69488879eab6fec.png "2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]anilino]propane-2-thiol")
2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]anilino]propane-2-thiol
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CAS No:
135937-66-5
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Formula:
C17H26N2S2
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Chemical Name:
2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]anilino]propane-2-thiol
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Synonyms:
2-Propanethiol,2-methyl-1-[[2-[[2-methyl-2-(2-propyn-1-ylthio)propyl]amino]phenyl]amino]; Tc-99m-T691; 2-methyl-1-[(2-{[2-methyl-2-(prop-2-yn-1-ylsulfanyl)propyl]amino}phenyl)amino]propane-2-thiol; T 691;
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CAS No:
2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]anilino]propane-2-thiol Basic Attributes
322.53200
322.15374118 g/mol
DTXSID70159599
Computed Properties
Molecular Weight:322.5
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:322.15374118
Monoisotopic Mass:322.15374118
Topological Polar Surface Area:50.4
Heavy Atom Count:21
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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