2-(Boc-amino)ethanthiol - CAS 67385-09-5
Catalog: |
BB033266 |
Product Name: |
2-(Boc-amino)ethanthiol |
CAS: |
67385-09-5 |
Synonyms: |
(2-Mercaptoethyl)carbamic Acid 1,1-Dimethylethyl Ester; (2-Mercaptoethyl)carbamic acid tert-butyl ester; 1,1-Dimethylethyl (2-mercaptoethyl)carbamate; 2-(N-tert-Butoxycarbonylamino)ethanethiol; 2-(tert-Butoxycarbonylamino)ethanethiol; 2-(tert-Butoxycarbonylamino)ethylmercaptan; 2-[(tert-Butoxycarbonyl)amino]-1-ethanethiol; 2-tert-Butylcarbamate-ethanethiol; N-Boc-2-aminoethanethiol; N-tert-Butoxycarbonyl-2-aminoethanethiol; N-tert-Butoxycarbonylcysteamine; tert-Butyl (2-mercaptoethyl)carbamate; tert-Butyl (2-sulfanylethyl)carbamate; tert-Butyl-N-(2-mercaptoethyl)carbamate |
IUPAC Name: | tert-butyl N-(2-sulfanylethyl)carbamate |
Description: | 2-(Boc-amino)ethanthiol (CAS# 67385-09-5) is used in the synthesis of several organic compounds including a novel, anisamide-targeted cyclodextrin nanoformulation for the delivery of siRNA to prostate cancer cells which is a potential therapeutic option. Also used in the synthesis of bifunctional azobenzene glycoconjugates for cysteine-based photosensitive cross-linking with bioactive peptides. |
Molecular Weight: | 177.26 |
Molecular Formula: | C7H15NO2S |
Canonical SMILES: | CC(C)(C)OC(=O)NCCS |
InChI: | InChI=1S/C7H15NO2S/c1-7(2,3)10-6(9)8-4-5-11/h11H,4-5H2,1-3H3,(H,8,9) |
InChI Key: | GSJJCZSHYJNRPN-UHFFFAOYSA-N |
Boiling Point: | 68 °C0.3 mmHg (lit.) |
Purity: | 90 % |
Density: | 1.049 g/mLat20°C(lit.) |
Solubility: | Soluble in Chloroform, Ethyl Acetate |
Appearance: | Clear colourless oil to off-white semi-solid |
Storage: | Store at -20 °C, Under inert atmosphere |
MDL: | MFCD00274335 |
LogP: | 1.83180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113087900-A | Polyamino acid derivative and preparation method and application thereof | 20210408 |
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Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.08234989 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.08234989 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 39.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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