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[3-Methyl-4-[3-(3-nitrothiophen-2-yl)sulfanylpropylsulfanyl]-2-pyridinyl]methanol

HCID 22460733
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Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(SCCCSc2sccc2[N+](=O)[O-])ccnc1CO
InChIKey
AOIBNHKECRSOMR-UHFFFAOYSA-N
Molecular formula
C14H16N2O3S3
Average molar mass
356.5 g/mol

Names & identifiers

Preferred name
[3-Methyl-4-[3-(3-nitrothiophen-2-yl)sulfanylpropylsulfanyl]-2-pyridinyl]methanol
IUPAC
[3-methyl-4-[3-(3-nitrothiophen-2-yl)sulfanylpropylsulfanyl]-2-pyridinyl]methanol

Names & synonyms

SCHEMBL7040049

Database identifiers

PubChem CID
22460733

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
158 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
22
Formal charge
0
Complexity
357

Related reactions

1 records
New reaction record
HRID 85904 reaction equation
HRID 85904As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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