Basic information
- CAS
1190009-49-4- Standard SMILES
CC(C)(C)OC(=O)N(CSS(C)(=O)=O)C(=O)OC(C)(C)C- InChIKey
FZNXHBNNTGBLEP-UHFFFAOYSA-N- Molecular formula
- C12H23NO6S2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.0966798
Names & identifiers
- Preferred name
- tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(methylsulfonylsulfanylmethyl)carbamate
- IUPAC
- tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(methylsulfonylsulfanylmethyl)carbamate
- English name
- [Bis(t-Boc)amino]methyl methanethiosulfonate
- Molecular formula
- C12H23NO6S2
- Molecular weight
- 341.45
Names & synonyms
[Bis(t-Boc)amino]methyl Methanethiosulfonate1190009-49-4tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(methylsulfonylsulfanylmethyl)carbamateDTXSID30652475S-{[Bis(tert-butoxycarbonyl)amino]methyl} methanesulfonothioateBoc-aminomethyl MTSMethanesulfonothioic Acid S-[[Bis[(1,1-diMethylethoxy)carbonyl]aMino]Methyl] Ester
Database identifiers
- CAS
1190009-49-4- PubChem CID
- 29974209
- DTXSID
DTXSID30652475
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- Melting point
- 92 · 92-94°C
- Boiling point
- 434.4 · 434.4±47.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -2.74 · -2.74±0.70(Predicted)
- color
- White
Chemistry & industry
Suppliers6 total
深圳菲斯生物科技有限公司0755-83725681-603
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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