2-(Boc-amino)-4-(hydroxymethyl)thiazole - CAS 494769-44-7
Catalog: |
BB026708 |
Product Name: |
2-(Boc-amino)-4-(hydroxymethyl)thiazole |
CAS: |
494769-44-7 |
Synonyms: |
N-[4-(hydroxymethyl)-2-thiazolyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate |
IUPAC Name: | tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate |
Description: | 2-(Boc-amino)-4-(hydroxymethyl)thiazole (CAS# 494769-44-7) is a useful research chemical. |
Molecular Weight: | 230.28 |
Molecular Formula: | C9H14N2O3S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC(=CS1)CO |
InChI: | InChI=1S/C9H14N2O3S/c1-9(2,3)14-8(13)11-7-10-6(4-12)5-15-7/h5,12H,4H2,1-3H3,(H,10,11,13) |
InChI Key: | OWLBQQTUOQLZST-UHFFFAOYSA-N |
Density: | 1.316 g/cm3 |
LogP: | 2.05540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3059885-A1 | Aziridine containing epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates | 20170411 |
JP-2020516626-A | Epothilone analogs containing aziridine, methods of synthesis, methods of treatment and drug conjugates | 20170411 |
US-2021238187-A1 | Aziridine containing epothilone analogs, methods of synthesis, methods of treatment, and drug conjugates | 20170411 |
AU-2018207337-A1 | Thiobenzoimidazole as fungicides | 20170113 |
BR-112019013653-A2 | thiobenzoimidazole as a fungicide | 20170113 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.07251349 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.07251349 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 99.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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