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Basic information
- CAS
50708-95-7- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCCS1- InChIKey
YCNTYPIGYVTFBO-UHFFFAOYSA-N- Molecular formula
- C23H34O2S
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.22795133
Overview
Tinabinol is a 1-benzopyran.
Names & identifiers
- Preferred name
- 8-(1,2-Dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-ol
- IUPAC
- 5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-ol
- English name
- Tinabinol
- Molecular formula
- C23H34O2S
- Molecular weight
- 374.58
Names & synonyms
Tinabinol50708-95-7TinabinolumSP-119455Y914AKKDTXSID20866160RefChem:1074612DTXCID808144808-(1,2-Dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-ol5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-ol8-(1,2-Dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)-(1)benzopyran-10-olTinabinolum [Latin]
Show more names
Thiopyrano[2,3-c][1]benzopyran-10-ol, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethyl-
Tinabinol [USAN:INN]BRN 1326547UNII-455Y914AKK8-(1,2-Dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano[2,3-c]-[1]benzopyran-10-olTINABINOL [INN]Tinabinol (USAN/INN)TINABINOL [USAN]1,2,3,5-Tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)thiopyrano(2,3-c)(1)benzopyran-10-ol
Database identifiers
- CAS
50708-95-7
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- FDA UNII
- 455 Y914AKK · 455Y914AKK
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: Tinabinol is a 1-benzopyran.
Related reactions
3 records
Compound notes
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