CAS 1477-42-5 | 2-Benzothiazolamine, 4-methyl- | CAS Number 1477-42-5

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1477-42-5 | 2-Benzothiazolamine, 4-methyl-

CAS No: 1477-42-5 Catalog No: AG001F45 MDL No:MFCD00005793

Product Description

Catalog Number:

AG001F45

Chemical Name:

2-Benzothiazolamine, 4-methyl-

CAS Number:

1477-42-5

Molecular Formula:

C8H8N2S

Molecular Weight:

164.2275

MDL Number:

MFCD00005793

IUPAC Name:

4-methyl-1,3-benzothiazol-2-amine

InChI:

InChI=1S/C8H8N2S/c1-5-3-2-4-6-7(5)10-8(9)11-6/h2-4H,1H3,(H2,9,10)

InChI Key:

GRIATXVEXOFBGO-UHFFFAOYSA-N

SMILES:

Nc1sc2c(n1)c(C)ccc2

EC Number:

216-028-3

UNII:

45V5F1B9Z8

NSC Number:

28732

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.226g/mol

Monoisotopic Mass:

164.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
FTIR, FT-Raman, FT-NMR, UV-visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Experimental and theoretical surface enhanced Raman scattering study of 2-amino-4-methylbenzothiazole adsorbed on colloidal silver particles.	The journal of physical chemistry. B 20051201
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
Biological evaluation of hepatitis C virus helicase inhibitors.	Bioorganic & medicinal chemistry letters 20010709