Basic information
- CAS
53906-36-8- Standard SMILES
O=C1N[C@H]2[C@H](CS[C@H]2CCCCCO)N1- InChIKey
RGIKRHKHRAAZIO-CIUDSAMLSA-N- Molecular formula
- C10H18N2O2S
- Average molar mass
- 230.33 g/mol
- Monoisotopic mass
- 230.10889899
Names & identifiers
- Preferred name
- Biotinol, D-
- IUPAC
- (3aS,4S,6aR)-4-(5-hydroxypentyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
- English name
- D-BIOTINOL
- Molecular formula
- C10H18N2O2S
- Molecular weight
- 230.33
Names & synonyms
D-Biotinol53906-36-8biotinol(+)-biotinolBiotinol, D-(3aS,4S,6aR)-4-(5-hydroxypentyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-oneN2GT586J33(3aS,4S,6aR)-4-(5-Hydroxypentyl)-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-2-one(3aS,4S,6aR)-Tetrahydro-4-(5-hydroxypentyl)-1H-thieno(3,4-d)imidazol-2(3H)-one1H-THIENO(3,4-D)IMIDAZOL-2(3H)-ONE, TETRAHYDRO-4-(5-HYDROXYPENTYL)-, (3AS-(3A.ALPHA.,4.BETA.,6A.ALPHA.))-1H-Thieno(3,4-d)imidazol-2(3H)-one, tetrahydro-4-(5-hydroxypentyl)-, (3as-(3aalpha,4beta,6aalpha))-RefChem:199880
Show more names
MFCD30532025(3aS,4S,6aR)-4-(5-hydroxypentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-oneCHEMBL2063398(3aS,4S,6aR)-4-(5-hydroxypentyl)-hexahydro-1H-thieno[3,4-d]imidazol-2-one1H-Thieno[3,4-d]imidazol-2(3H)-one, tetrahydro-4-(5-hydroxypentyl)-,(3aS,4S,6aR)-UNII-N2GT586J33orb3177798SCHEMBL6892316
Database identifiers
- CAS
53906-36-8- PubChem CID
- 10082587
- ChEMBL
CHEMBL2063398- UNII
- N2GT586J33
- Nikkaji
- J1.403.363G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 500 · 500.0±35.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol
- pka
- 13.9 · 13.90±0.40(Predicted)
- form
- Solid
- color
- White
- FDA UNII
- 2 GT586J33 · N2GT586J33
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses(+)-Biotinol is a byproduct in the synthesis of 9-Methyl Biotin (mixture of diastereomers) (M294075), which is an impurity of Biotin (B389040). Biotin EP Impurity D.
Upstream & downstream products
Upstream raw materials
Suppliers33 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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