4-Methoxy-1,2-benzothiazole

CAT: 0926-KBA27230-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-KBA27230-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

35272-30-1

MDL Number

MFCD22666181

Smiles

COC1=C2C=NSC2=CC=C1

Molecular Formula

C8H7NOS

Molecular Weight

165.21 g/mol

Controlled

Chemical Information

4-Methoxybenzo[d]isothiazole

CAS Number	35272-30-1
PubChem CID	19384352
IUPAC Name	4-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=C2C=NSC2=CC=C1

InChI

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

InChIKey

WILUPWLPVVSGHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35272-30-1

CID: 19384352

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
DAA04846	4-Methoxy-1,3-benzothiazole
XFA31753-01	6-Methoxy-1,2-benzothiazole
FC12577-01	2-Cyano-6-methoxy benzothiazole
ILB35582-01	7-Methoxy-benzothiazole-2-thiol
FXC21796-01	6-Bromo-2-methoxy-1,3-benzothiazole
EJB05990-01	5-Methoxy-1,3-benzothiazole-2-carbaldehyde
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

Catalog	Name
OR910405-01	4-Methoxy-1,3-benzothiazole
OR21286-01	2-Amino-4-methoxy-1,3-benzothiazole
sc-316693	4-Methoxy-benzothiazole-2,6-diamine
OR310656-01	6-Methoxy-2- (4-nitrophenyl) -1,3-benzothiazole
OR43593	4-Methoxy-1,3-benzothiazole-2-carboxylic acid
OR480556	6-Methoxy-1,3-benzothiazole-2,4-diamine
OR1004682-01	5-Methoxy-2-methyl-4-nitro-benzothiazole
267684-01	2-Chloro-5-methoxy-benzothiazole
267681-01	2-Cyano-6-methoxy benzothiazole
267680-01	2-Chloro-6-methoxy benzothiazole