Basic information
- CAS
135937-66-5- Standard SMILES
C#CCSC(C)(C)CNc1ccccc1NCC(C)(C)S- InChIKey
SYBLQBKYOUYTMO-UHFFFAOYSA-N- Molecular formula
- C17H26N2S2
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.15374118
Names & identifiers
- Preferred name
- T 691
- IUPAC
- 2-methyl-1-[2-[(2-methyl-2-prop-2-ynylsulfanylpropyl)amino]anilino]propane-2-thiol
- English name
- T 691
- Molecular formula
- C17H26N2S2
- Molecular weight
- 322.53174
Names & synonyms
135937-66-5T 691Tc-99m-T691T691T-691DTXSID70159599RefChem:187035DTXCID8082090SYBLQBKYOUYTMO-UHFFFAOYSA-NSCHEMBL9322617Technetium-99m-N1-(2-mercapto-2-methylpropyl)-N2-(2-propargylthio-2-methylpropyl)-1,2-benzenediamine2-(2-mercapto-2-methyl-propylamino)-1-[2-(2-propynylthio)-2-methylpropylamino]-benzene
Show more names
2-(2-mercapto-2-methyl-propylamino)-1-[2-(2-propynylthio)-2methylpropylamino]-benzene2-(2-mercapto-2-methylpropylamino)-1-[2-(2-propynylthio)-2-methylpropyl-amino]benzene2-(2-mercapto-2-methylpropylamino)-1-[2-(2-propynylthio)-2-methylpropylamino]benzene2-Methyl-1-[2-({2-methyl-2-[(prop-2-yn-1-yl)sulfanyl]propyl}amino)anilino]propane-2-thiol
Database identifiers
- CAS
135937-66-5- PubChem CID
- 195818
- DTXSID
DTXSID70159599
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
5 records
Compound notes
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