6-Methylbenzothiazole - CAS 2942-15-6
Catalog: |
BB076931 |
Product Name: |
6-Methylbenzothiazole |
CAS: |
2942-15-6 |
Synonyms: |
Benzothiazole, 6-methyl-; 6-Methylbenzo[d]thiazole |
IUPAC Name: | 6-methyl-1,3-benzothiazole |
Molecular Weight: | 149.21 |
Molecular Formula: | C8H7NS |
Canonical SMILES: | CC1=CC2=C(C=C1)N=CS2 |
InChI: | InChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3 |
InChI Key: | IVKILQAPNDCUNJ-UHFFFAOYSA-N |
Boiling Point: | 255.0±0.0°C at 760 mmHg |
Purity: | 95% |
Density: | 1.2±0.1 g/cm3 |
Storage: | Store at RT |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.0299204 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.0299204 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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