(2S,4S)-2-methyl-4-phenylthiane

Base Information

• Chemical Name: (2S,4S)-2-methyl-4-phenylthiane
• CAS No.: 76097-69-3
• Molecular Formula: C12H16S
• DSSTox Substance ID: DTXSID10362409
• Wikidata: Q82145459

Synonyms:AC1LQIFF;76097-69-3;DTXSID10362409

Chemical Property of (2S,4S)-2-methyl-4-phenylthiane

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 192.09727168
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CCS1)C2=CC=CC=C2
• Isomeric SMILES: C[C@H]1C[C@H](CCS1)C2=CC=CC=C2

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