1-(2-Allylthio-2-methylpropylamino)-2-(2-mercapto-2-methylpropylamino]benzene

HCID 10071687
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Basic information

Standard SMILES
C=CCSC(C)(C)CNc1ccccc1NCC(C)(C)S
InChIKey
AIBCOTOHEXADMW-UHFFFAOYSA-N
Molecular formula
C17H28N2S2
Average molar mass
324.6 g/mol
Monoisotopic mass
324.16939125

Names & identifiers

Preferred name
1-(2-Allylthio-2-methylpropylamino)-2-(2-mercapto-2-methylpropylamino]benzene
IUPAC
2-methyl-1-[2-[(2-methyl-2-prop-2-enylsulfanylpropyl)amino]anilino]propane-2-thiol

Names & synonyms

SCHEMBL9322553AIBCOTOHEXADMW-UHFFFAOYSA-N1-(2-allylthio-2-methylpropylamino)-2-(2-mercapto-2-methylpropylamino]benzene

Database identifiers

PubChem CID
10071687

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
50.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
21

Related reactions

3 records
New reaction record

Compound notes

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