5-(1,3-Benzothiazol-2-yl)-2-methylaniline - CAS 313402-37-8
Catalog: |
BB048483 |
Product Name: |
5-(1,3-Benzothiazol-2-yl)-2-methylaniline |
CAS: |
313402-37-8 |
Synonyms: |
5-(benzo[d]thiazol-2-yl)-2-methylaniline; 5-benzothiazol-2-yl-2-methylphenylamine |
IUPAC Name: | 5-(1,3-benzothiazol-2-yl)-2-methylaniline |
Description: | 5-(1,3-Benzothiazol-2-yl)-2-methylaniline (CAS# 313402-37-8 ) is a useful research chemical. |
Molecular Weight: | 240.32 |
Molecular Formula: | C14H12N2S |
Canonical SMILES: | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)N |
InChI: | InChI=1S/C14H12N2S/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3 |
InChI Key: | RLYKSASURFRWIY-UHFFFAOYSA-N |
Boiling Point: | 438.5±55.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.07211956 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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