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2,4-Dimethylthiophen-3-yl-(n-propyl)amine (HCID 21709931)|Huagongshe
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Compound
2,4-Dimethylthiophen-3-yl-(n-propyl)amine
HCID
21709931
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCNc1c(C)csc1C
InChIKey
CYILKXWWMSYHDV-UHFFFAOYSA-N
Molecular formula
C9H15NS
Average molar mass
169.29 g/mol
Names & identifiers
Preferred name
2,4-Dimethylthiophen-3-yl-(n-propyl)amine
IUPAC
2,4-dimethyl-N-propylthiophen-3-amine
Names & synonyms
SCHEMBL7994873
CYILKXWWMSYHDV-UHFFFAOYSA-N
2,4-Dimethylthiophen-3-yl-(n-propyl)amine
Database identifiers
PubChem CID
21709931
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
40.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
116
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
134105
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
650872
As product
uspto-grants-2001_08
HRID
650873
As reactant
uspto-grants-2001_08
HRID
1120441
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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