6-Methoxy-1,2-benzothiazole

CAT: 0926-XFA31753-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XFA31753-01Size:50 mg

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CAS Number

147317-53-1

MDL Number

MFCD22555868

Smiles

C1C (NC (=O) N1) C2=CC=CC=N2

Molecular Formula

C8H9N3O

Molecular Weight

163.18 g/mol

Controlled

Chemical Information

1,2-Benzisothiazole, 6-methoxy-

CAS Number	147317-53-1
PubChem CID	53743486
IUPAC Name	6-methoxy-1,2-benzothiazole
Molecular Formula	C8H7NOS
Molecular Weight	165.21
XLogP	2.3
Topological Polar Surface Area	50.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	142

SMILES

COC1=CC2=C(C=C1)C=NS2

InChI

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

InChIKey

SUPBKWVQXVROKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 147317-53-1

CID: 53743486

Formula: C8H7NOS

MW: 165.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.21
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	165.02483502
Monoisotopic Mass	165.02483502
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
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
FC12577-01	2-Cyano-6-methoxy benzothiazole
GSB63987-01	2- (Chloromethyl) -6-methoxy-1,3-benzothiazole
KEA70418-01	2- (Bromomethyl) -6-methoxy-1,3-benzothiazole
TEC35379-01	2-Methoxy-1,3-benzothiazole-6-carbaldehyde
YEA51158-01	6-Methoxy-1,3-benzothiazole-2-carbaldehyde
FXC21796-01	6-Bromo-2-methoxy-1,3-benzothiazole
KBA27230-01	4-Methoxy-1,2-benzothiazole
QDA00550-01	6-Methoxy-2,3-dihydro-1,3-benzothiazole
CKB26523-01	6-Bromo-1,2-benzothiazole
ILB35582-01	7-Methoxy-benzothiazole-2-thiol

Catalog	Name
267681-01	2-Cyano-6-methoxy benzothiazole
267680-01	2-Chloro-6-methoxy benzothiazole
OR1087696	6-Methoxy-2- (methylthio) benzothiazole
OR480501-01	6-methoxy-1,3-benzothiazole
sc-259925A	2-Hydrazino-6-methoxy-1,3-benzothiazole
416205-01	2-Bromo-6-methoxy-1,3-benzothiazole
OR302169-01	6-Methoxy-1,3-benzothiazole-2-carbonitrile
OR14045	2-Chloro-6-methoxy-1,3-benzothiazole
OR18278-01	2-Amino-6-methoxy-1,3-benzothiazole
sc-316693	4-Methoxy-benzothiazole-2,6-diamine