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10-[(2RS)-1-(N-ethyl-N-methylamino)-2-propyl]-2-phenothiazinecarbothioamide

HCID 14536554
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCN(C)CC(C)N1c2ccccc2Sc2ccc(C(N)=S)cc21
InChIKey
FCGDEHGBHMUDIB-UHFFFAOYSA-N
Molecular formula
C19H23N3S2
Average molar mass
357.5 g/mol

Names & identifiers

Preferred name
10-[(2RS)-1-(N-ethyl-N-methylamino)-2-propyl]-2-phenothiazinecarbothioamide
IUPAC
10-[1-[ethyl(methyl)amino]propan-2-yl]phenothiazine-2-carbothioamide

Names & synonyms

SCHEMBL9758919FCGDEHGBHMUDIB-UHFFFAOYSA-N10-[(2RS)-1-(N-ethyl-N-methyl-amino)-2-propyl]-2-phenothiazinecarbothioamide10-[(2RS)-1-(N-ethyl-N-methylamino)-2-propyl]-2-phenothiazinecarbothioamide

Database identifiers

PubChem CID
14536554

Properties

Computed structural propertiesFilling in

XLogP
4.1
Topological polar surface area
89.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
444

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Related reactions

9 records
New reaction record
HRID 286536 reaction equation
HRID 286536As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 704192 reaction equation
HRID 704192As reactantuspto-grants-1991_01
HRID 704193 reaction equation
HRID 704193As productuspto-grants-1991_01
HRID 728709 reaction equation
HRID 728709As reactantuspto-grants-1991_09
HRID 728710 reaction equation
HRID 728710As productuspto-grants-1991_09
HRID 728719 reaction equation
HRID 728719As reactantuspto-grants-1991_09
HRID 728724 reaction equation
HRID 728724As reactantuspto-grants-1991_09
HRID 1550580 reaction equation
HRID 1550580As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
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Compound notes

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