Basic information
- CAS
207857-19-0- Standard SMILES
O=C(NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OCc1ccccc1)OCc1ccccc1- InChIKey
GLZHTZVKRCUQRB-UHFFFAOYSA-N- Molecular formula
- C18H16F3N3O6S
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.0711909
Names & identifiers
- Preferred name
- 1,3-Di-Z-2-(trifluoromethylsulfonyl)guanidine
- IUPAC
- benzyl N-[N-phenylmethoxycarbonyl-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate
- English name
- 1 3-Di-Z-2-(trifluoromethylsulfonyl)-
- Molecular formula
- C18H16F3N3O6S
- Molecular weight
- 459.4
Names & synonyms
207857-19-01,3-Di-Z-2-(trifluoromethylsulfonyl)guanidineDTXSID10399331RefChem:218280DTXCID10350189N,N'-Dicarbobenzyloxy-N''-trifluoromethanesulfonylguanidinebenzyl N-[N-phenylmethoxycarbonyl-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamateMFCD03791132Carbamic acid, N,N'-[[(trifluoromethyl)sulfonyl]carbonimidoyl]bis-, C,C'-bis(phenylmethyl) esterSCHEMBL2175288SCHEMBL7472350C18H16F3N3O6S
Show more names
N,N'-diCbz-N''-triflylguanidineBenzylN-N-phenylmethoxycarbonyl-N1 3-Di-Z-2-(trifluoromethylsulfonyl)-1,3-di-Cbz-2-(trifluoromethyl-sulfonyl)guanidine1,3-Di-Z-2-(trifluoromethylsulfonyl)guanidine >=98.0% (HPLC)N,N'-[[(trifluoromethyl)sulfonyl]carbonimidoyl]bis-, C,C'-bis(phenylmethyl) esterbenzyl N-({[(benzyloxy)carbonyl]amino}(trifluoromethanesulfonylimino)methyl)carbamate
GLZHTZVKRCUQRB-UHFFFAOYSA-NN,N'-di-cbz-N''-triflylguanidineAS-86222Dibenzyl [(trifluoromethanesulfonyl)carbonimidoyl]biscarbamate1,3-Di-Z-2-(trifluoromethylsulfonyl)guanidine, >=98.0% (HPLC)benzyl N-[N-benzyloxycarbonyl-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 702
Physicochemical properties
- Melting point
- 74 · 74-75 °C
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystals
- pka
- -4.89 · -4.89±0.40(Predicted)
- BRN
- 7956609 · 7956609
- Major Application
- peptide synthesis
- InChI
- 1S/C18H16F3N3O6S/c19-18(20,21)31(27,28)24-15(22-16(25)29-11-13-7-3-1-4-8-13)23-17(26)30-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,22,23,24,25,26)
- InChIKey
- GLZHTZVKRCUQRB-UHFFFAOYSA-N
- SMILES
- FC(F)(F)S(=O)(=O)N=C(NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
- F
- 10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
深圳市奇美克生物科技有限公司13692196024 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳市创鑫生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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