6-Methoxy-2-methylbenzothiazole - CAS 2941-72-2

Catalog:	BB020189
Product Name:	6-Methoxy-2-methylbenzothiazole
CAS:	2941-72-2
Synonyms:	6-methoxy-2-methyl-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	6-methoxy-2-methyl-1,3-benzothiazole
Description:	6-Methoxy-2-methylbenzothiazole (CAS# 2941-72-2) is used as a reactant in the preparation of benzothiazole derivatives.
Molecular Weight:	179.24
Molecular Formula:	C9H9NOS
Canonical SMILES:	CC1=NC2=C(S1)C=C(C=C2)OC
InChI:	InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3
InChI Key:	DYHLJSUORLPGNT-UHFFFAOYSA-N
Boiling Point:	284.2 °C at 760 mmHg
Density:	1.223 g/cm³
Appearance:	Dark yellow clear liquid
MDL:	MFCD00005795
LogP:	2.61330

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Related Functional Groups

Benzoxazole/Benzothiazole

[20712-11-2]
6-Nitrobenzo[c]isothiazole
[1326714-98-0]
4-Bromobenzo[d]isothiazole
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[6481-01-2]
2,5,7-Trichlorobenzoxazole
[329222-92-6]
Propyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[67982-15-4]
Benzo[d]isothiazol-4-ol

Oxazole/Thiazole

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[937598-16-8]
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[866769-73-5]
Ethyl 2-(cyclopropylamino)-4-methylthiazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.04048508
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.04048508
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8