1-[2-[(2-But-2-enylsulfanyl-2-methylpropyl)amino]anilino]-2-methylpropane-2-thiol

HCID 53697474
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Basic information

Standard SMILES
CC=CCSC(C)(C)CNc1ccccc1NCC(C)(C)S
InChIKey
BRONXEROKBTRIF-UHFFFAOYSA-N
Molecular formula
C18H30N2S2
Average molar mass
338.6 g/mol
Monoisotopic mass
338.18504131

Names & identifiers

Preferred name
1-[2-[(2-But-2-enylsulfanyl-2-methylpropyl)amino]anilino]-2-methylpropane-2-thiol
IUPAC
1-[2-[(2-but-2-enylsulfanyl-2-methylpropyl)amino]anilino]-2-methylpropane-2-thiol

Names & synonyms

SCHEMBL9323766

Database identifiers

PubChem CID
53697474

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
50.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
22

Related reactions

1 records
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Compound notes

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