2-Benzyl-1,3-thiazole - CAS 13948-37-3
Catalog: |
BB071187 |
Product Name: |
2-Benzyl-1,3-thiazole |
CAS: |
13948-37-3 |
Synonyms: |
2-(Phenylmethyl)thiazole; 2-Benzylthiazole |
IUPAC Name: | 2-benzyl-1,3-thiazole |
Description: | 2-Benzyl-1,3-thiazole is a useful research chemical compound used in the preparation of benzothiadiazine derivatives for use as KAT inhibitors. |
Molecular Weight: | 175.25 |
Molecular Formula: | C10H9NS |
Canonical SMILES: | C1=CC=C(C=C1)CC2=NC=CS2 |
InChI: | InChI=1S/C10H9NS/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-7H,8H2 |
InChI Key: | ABCSPNANFXDHDU-UHFFFAOYSA-N |
References: | Morrow, B. J., et al. PCT Int. Appl. WO 2019043139, 313, (2019). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.04557046 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.04557046 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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