4-(Methylsulfanyl)-2,3-dihydro-1,5-benzothiazepine

Base Information

• Chemical Name: 4-(Methylsulfanyl)-2,3-dihydro-1,5-benzothiazepine
• CAS No.: 118971-06-5
• Molecular Formula: C10H11NS2
• Molecular Weight: 209.336
• DSSTox Substance ID: DTXSID10557277
• Nikkaji Number: J848.204G
• Mol file: 118971-06-5.mol

Synonyms:4-(methylsulfanyl)-2,3-dihydro-1,5-benzothiazepine;118971-06-5;SCHEMBL9512603;DTXSID10557277;4-methylsulfanyl-2,3-dihydro-[1,5]benzothiazepine

Chemical Property of 4-(Methylsulfanyl)-2,3-dihydro-1,5-benzothiazepine

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.03329170
• Heavy Atom Count: 13
• Complexity: 203

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC2=CC=CC=C2SCC1

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