2-Methyl-5-Benzothiazolol

CAT: 0926-FM58997Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FM58997Size:10 g

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CAS Number

68867-14-1

MDL Number

MFCD00192276

Smiles

CC1=NC2=C (S1) C=CC (=C2) O

Molecular Formula

C8H7NSO

Molecular Weight

165.21 g/mol

Controlled

Chemical Information

2-Methyl-1,3-benzothiazol-5-ol

CAS Number	68867-14-1
PubChem CID	699799
IUPAC Name	2-methyl-1,3-benzothiazol-5-ol
Molecular Formula	C8H7NOS
Molecular Weight	165.21
XLogP	2.4
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

CC1=NC2=C(S1)C=CC(=C2)O

InChI

InChI=1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3

InChIKey

LAKVUPMDDFICNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68867-14-1

CID: 699799

Formula: C8H7NOS

MW: 165.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.21
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	165.02483502
Monoisotopic Mass	165.02483502
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YCC40810-01	Methyl 5-methyl-1,3-benzothiazole-2-carboxylate
NMA40237-01	5-Benzothiazol-2-yl-2-methyl-phenylamine
FM168847-01	Methyl 5-methyl-2-hexenoate
FAA71791-01	2- (Chloromethyl) -5-methyl-1,3-benzothiazole
ACA85098	5-Chloro-6-methyl-benzothiazol-2-ylamine
PPA74454-01	Methyl 5-[ (2-bromophenoxy) methyl]-2-furoate
PPA62196-01	Methyl 5-[ (2-chlorophenoxy) methyl]-2-furoate
ETB17890-01	[ (2,5-Dimethylphenyl) methyl] (methyl) amine
VAA57764-01	Methyl 5-methyl-2,4-dioxohexanoate
MXB92849-01	5-Bromo-benzothiazole-2-carboxylic acid methyl ester

Catalog	Name
OR1025044-01	2-Methyl-5-Benzothiazolol
B03990-01	2-Benzothiazolol
JH919446	6-Benzothiazolol,2-bromo- (9CI)
OR1075491	Rel- (6R,7S) -2-Amino-4,5,6,7-tetrahydro-6- (propylamino) -7-benzothiazolol
OR916942-01	Methyl 5-methyl-2-furoate
OR40553-01	Methyl 2-methyl-5-nitrobenzoate
OR17822	Methyl 5-methyl-2-nitrobenzoate
OR91765-01	Methyl 2-methyl-5-nitroisonicotinate
OR1080964	Methyl 5-methyl-2-propoxybenzoate
sc-269544	Methyl 5-methyl-2-hexenoate