10-(Methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2-thione

HCID 22347759
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Basic information

Standard SMILES
CNC1Cc2cccc3[nH]c(=S)n(c23)C1
InChIKey
QJOMEJDBLGGZNA-UHFFFAOYSA-N
Molecular formula
C11H13N3S
Average molar mass
219.31 g/mol

Names & identifiers

Preferred name
10-(Methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2-thione
IUPAC
10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2-thione

Names & synonyms

SCHEMBL5141708

Database identifiers

PubChem CID
22347759

Properties

Computed structural properties

XLogP
1
Topological polar surface area
59.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Related reactions

1 records
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Compound notes

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