4-Azido-2,3,5,6-tetrafluorobenzamido-L-cysteine methanethiosulfonate supplier

Name
4-Azido-2,3,5,6-tetrafluorobenzamidocysteine Methanethiosulfonate
EINECS
CAS No. 352000-06-7
Density
Solubility
Melting Point 119-122 °C
Formula C₁₁H₈F₄N₄O₅S₂
Boiling Point
Molecular Weight 416.33
Flash Point
Transport Information
Appearance off-white to beige solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2R)-2-[(4-Azido-2,3,5,6-tetrafluoro-benzoyl)amino]-3-methylsulfonylsulfanyl-propanoic acid;
PSA 183.97000
LogP 2.98506

4-Azido-2,3,5,6-tetrafluorobenzamido-L-cysteine methanethiosulfonate Specification

The 4-Azido-2, 3, 5, 6-tetrafluorobenzamido-L-cysteine methanethiosulfonate, with the CAS registry number 352000-06-7, belongs to the product categories of MTS and Sulfhydryl Active Reagents; MTS & Sulfhydryl Active Reagents; Photoaffinity Labels. This chemical's molecular formula is C₁₁H₈F₄N₄O₅S₂ and molecular weight is 416.33. What's more, its systematic name is (2R)-2-[(4-Azido-2, 3, 5, 6-tetrafluoro-benzoyl)amino]-3-methylsulfonylsulfanyl-propanoic acid. In addition, it is a trifunctional, photo and thiol reactive reagent.

Physical properties about 4-Azido-2, 3, 5, 6-tetrafluorobenzamido-L-cysteine methanethiosulfonate are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.877; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 146.58 Å².

You can still convert the following datas into molecular structure:
(1) SMILES: CS(=O)(=O)SC[C@@H](C(=O)O)NC(=O)c1c(c(c(c(c1F)F)N=[N+]=[N-])F)F
(2) InChI: InChI=1/C11H8F4N4O5S2/c1-26(23,24)25-2-3(11(21)22)17-10(20)4-5(12)7(14)9(18-19-16)8(15)6(4)13/h3H,2H2,1H3,(H,17,20)(H,21,22)/t3-/m0/s1
(3) InChIKey: JFNQPHWGTXGNNV-VKHMYHEABR

Product Name

4-Azido-2,3,5,6-tetrafluorobenzamidocysteine Methanethiosulfonate

4-Azido-2,3,5,6-tetrafluorobenzamido-L-cysteine methanethiosulfonate Specification

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