CAS 313402-37-8 | 5-(1,3-benzothiazol-2-yl)-2-methylaniline | CAS Number 313402-37-8

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313402-37-8 | 5-(1,3-benzothiazol-2-yl)-2-methylaniline

CAS No: 313402-37-8 Catalog No: AG00JEXI MDL No:MFCD00579040

Product Description

Catalog Number:

AG00JEXI

Chemical Name:

5-(1,3-benzothiazol-2-yl)-2-methylaniline

CAS Number:

313402-37-8

Molecular Formula:

C14H12N2S

Molecular Weight:

240.3235

MDL Number:

MFCD00579040

IUPAC Name:

5-(1,3-benzothiazol-2-yl)-2-methylaniline

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

SMILES:

Cc1ccc(cc1N)c1nc2c(s1)cccc2

Properties

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.324g/mol

Monoisotopic Mass:

240.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Hybrids of privileged structures benzothiazoles and pyrrolo[2,1-c] [1,4]benzodiazepin-5-one, and diversity-oriented synthesis of benzothiazoles.	European journal of medicinal chemistry 20120401
Solid phase combinatorial synthesis of benzothiazoles and evaluation of topoisomerase II inhibitory activity.	Bioorganic & medicinal chemistry 20060215