2-(Hydroxymethyl)benzothiazole - CAS 37859-42-0
Catalog: |
BB023448 |
Product Name: |
2-(Hydroxymethyl)benzothiazole |
CAS: |
37859-42-0 |
Synonyms: |
1,3-benzothiazol-2-ylmethanol |
IUPAC Name: | 1,3-benzothiazol-2-ylmethanol |
Description: | 2-(Hydroxymethyl)benzothiazole (CAS# 37859-42-0) is a useful research chemical. |
Molecular Weight: | 165.21 |
Molecular Formula: | C8H7NOS |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)CO |
InChI: | InChI=1S/C8H7NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2 |
InChI Key: | PQXMQZYDBQBWNL-UHFFFAOYSA-N |
Boiling Point: | 299.1 °C at 760 mmHg |
Melting Point: | 95-96 °C |
Purity: | 95 % |
Density: | 1.375 g/cm3 |
Appearance: | Light yellow crystalline powder |
MDL: | MFCD00226293 |
LogP: | 1.78860 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109485661-A | The method [3+2] cycloaddition synthesis benzothiazole and dislike azole compounds | 20181123 |
WO-2020033784-A1 | Transglutaminase 2 (tg2) inhibitors | 20180810 |
TW-202023553-A | Transglutaminase 2 (tg2) inhibitors | 20180810 |
AU-2019318543-A1 | Transglutaminase 2 (TG2) inhibitors | 20180810 |
CN-112789040-A | Transglutaminase 2(TG2) inhibitors | 20180810 |
PMID | Publication Date | Title | Journal |
20426423 | 20100527 | Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties | Journal of medicinal chemistry |
12127537 | 20020819 | Design and synthesis of novel inhibitors of gelatinase B | Bioorganic & medicinal chemistry letters |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02483502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Related Functional Groups
Alcohols and Derivatives
Oxazole/Thiazole
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