N-Boc-S-methyl-L-cysteine

Base Information

• Chemical Name: N-Boc-S-methyl-L-cysteine
• CAS No.: 16947-80-1
• Molecular Formula: C9H17 N O4 S
• Molecular Weight: 235.304
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20427013
• Nikkaji Number: J270.645H
• Mol file: 16947-80-1.mol

Synonyms:16947-80-1;BOC-CYS(ME)-OH;N-Boc-S-methyl-L-cysteine;Boc-S-methylcysteine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylpropanoic acid;N-(TERT-BUTOXYCARBONYL)-S-METHYL-L-CYSTEINE;Boc-S-methyl-L-cysteine;(R)-2-(tert-butoxycarbonylamino)-3-(methylthio)propanoic acid;boccys(me)oh;MFCD00076923;L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-methyl-;Boc-L-Cys(Me)-OH;N-Boc-S-Methyl-L-Cys-OH;(R)-Boc-(S-methyl)cysteine;SCHEMBL1618767;BOC-CYS(ME)-OH, AldrichCPR;DTXSID20427013;WFDQTEFRLDDJAM-LURJTMIESA-N;(2R)-2-[(tert-butoxycarbonyl)amino]-3-(methylsulfanyl)propanoic acid;AKOS005145752;AKOS015836471;FD21311;N-(tert-butoxycarbonyl)-S-methylcysteine;S-Methyl-N-t-butyloxycarbonyl-L-cysteine;AS-49034;A3743;CS-0154522;N-(tert.butoxycarbonyl)-S-methyl-L-cysteine;EN300-384091;J-010544;(R)-N-(1,1-Dimethylethoxy)carbonyl-(S-methyl)cysteine;L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-methyl-;(r)-2-tert-butoxycarbonylamino-3-methylsulfanyl-propionic acid;(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(methylsulfanyl)propanoic acid

Chemical Property of N-Boc-S-methyl-L-cysteine

Chemical Property:

• Vapor Pressure: 4E-07mmHg at 25°C
• Melting Point: 71-73 °C
• Refractive Index: 1.502
• Boiling Point: 388.7°Cat760mmHg
• PKA: 3.52±0.10(Predicted)
• Flash Point: 188.9°C
• PSA: 100.93000
• Density: 1.185g/cm³
• LogP: 1.71820
• Storage Temp.: -15°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 235.08782920
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

N-Boc-S-methyl-L-cysteine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CSC)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CSC)C(=O)O
• Uses: N-Boc-S-methyl-L-cysteine is an educt for the synthesis of potential inhibitors of glycosphingolipid biosynthesis with other potential uses in biochemical research.