Basic information
- CAS
353754-95-7- Standard SMILES
CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21- InChIKey
PXMZUZLKVZKKHK-MPGHIAIKSA-N- Molecular formula
- C19H34N4O5S3
- Average molar mass
- 494.7 g/mol
- Monoisotopic mass
- 494.16913372
Names & identifiers
- Preferred name
- S-[2-[[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] methanesulfonothioate
- IUPAC
- 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-(2-methylsulfonylsulfanylethyl)hexanamide
- English name
- N-Biotinylcaproylaminoethyl Methanethiosulfonate
- Molecular formula
- C19H34N4O5S3
- Molecular weight
- 494.69
Names & synonyms
353754-95-7S-[2-[[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] methanesulfonothioateS-(2-((6-((5-((3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)-1-oxohexyl)amino)ethyl) methanesulfonothioateRefChem:379399N-Biotinylcaproylaminoethyl MethanethiosulfonateN-Biotinylcaproylaminoethyl methylthiosulphonateS-(2-(6-(5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamido)ethyl) methanesulfonothioateDTXSID801101415MTSEA Biotin-X, solubility: in DMSO, solubleMTSEA-X-BiotinMTSEA-X-Biotin [N-Biotinoylcaproylaminoethyl methanethiosulfonateMethanesulfonothioic Acid, S-[2-[[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]iMidazol-4-yl]-1-oxopentyl]aMino]-1-oxohexyl]aMino]ethyl] Ester
Database identifiers
- CAS
353754-95-7- PubChem CID
- 71299596
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 714
Physicochemical properties
- Melting point
- 133 · 133-135°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- soluble in DMF, DMSO
- form
- Solid
- color
- Off White
- Stability
- Moisture sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesReacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease
Suppliers13 total
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
苏州优逸兰迪生物科技有限公司18100698384 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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