Methyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate

Basic Information

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CAS Number

608-16-2

Molecular Formula

C11H18N2O3S

Molecular Weight

258.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

~166.5 °C

SMILES

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COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

InChI

InChI=1S/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,10-/m0/s1

InChIKey

BHEWJAXNLVWPSC-NRPADANISA-N

LogP

0.8851999999999998

Topological Polar Surface Area

67.42999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Synonyms & References

English

1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, methyl ester, (3aS,4S,6aR)-
(+)-Biotin Methyl Ester
BIOTIN METHYL ESTER
D-(+)-Biotin methyl ester
(+) BIOTIN METHYL ESTER

MDL Number

MFCD27578197

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate (CAS: 608-16-2)?

The compound is subject to various regulatory guidelines such as GHS classification, REACH regulations, and FDA/EPA requirements. Additionally, it may be subject to local and national environmental protection laws and regulations.

Are there alternatives to Methyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate (CAS: 608-16-2) in synthesis?

Yes, alternatives include using other thienoimidazole derivatives or similar functional groups. Common alternative reagents such as methyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]acetate or methyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]hexanoate can be considered.

What is the market or research trend for Methyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate (CAS: 608-16-2)?

The market trend for this compound is growing due to its potential applications in pharmaceuticals and agrochemicals. Research is focusing on its biological activity and further development of related analogs and derivatives.

How should waste containing Methyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate (CAS: 608-16-2) be handled?

Waste containing this compound should be collected and disposed of in accordance with local environmental regulations. Proper incineration or professional waste disposal services should be utilized to ensure safe and environmentally friendly disposal. Always adhere to safety precautions and follow local guidelines for hazardous waste management.