2-[({[(1,3-benzothiazol-2-ylmethyl)sulfanyl]methyl}sulfanyl)methyl]-1,3-benzothiazole
AlkaPlorer ID: AK275115
Synonym: None
IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanylmethylsulfanylmethyl)-1,3-benzothiazole
Structure
SMILES: C1=CC=C2SC(CSCSCC3=NC4=CC=CC=C4S3)=NC2=C1
InChI: InChI=1S/C17H14N2S4/c1-3-7-14-12(5-1)18-16(22-14)9-20-11-21-10-17-19-13-6-2-4-8-15(13)23-17/h1-8H,9-11H2
InChIKey: BOOQTDPRYNDFJW-UHFFFAOYSA-N
Reference
Asteriscane-Type Sesquiterpenoids from the Soft Coral <i>Sinularia capillosa</i>
PubChem CID: 1898729
SuperNatural Ⅲ: SN0031194
COCONUT: CNP0030283
Source
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Properties Information
Molecule Weight: 374.581
TPSA？: 25.78
MolLogP？: 6.030100000000004
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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