Molecular Identity
Ptca
N,N-dimethylpentathiocan-7-amine
PubChem CID: 443032
7-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctane is a tertiary amine.
2D Structure
Properties
C5H11NS5
Molecular Formula
245.50
Molecular Weight
g/mol
244.9495
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
101
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)C1CSSSSSC1Isomeric SMILES
SMILES: CN(C)C1CSSSSSC1Synonyms(18)
PTCAN,N-dimethylpentathiocan-7-amineRefChem:10971477-N,N-Dimethylamino-1,2,3,4,5-pentathiocyclooctaneC10917114067-78-6AC1L9DWNDuosaiwanpolythialan [ISO]21386-EP2269989A121386-EP2272817A1N,N-dimethyl-1,2,3,4,5-pentathiocan-7-amine4SX32ZWF2ACHEBI:2277DTXSID901337431
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ptca
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