Mebutizide

CAT: 0024-sc-489406Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-489406Size:25 mg

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

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CAS Number

3568-00-1

Chemical Information

Mebutizide

Mebutizide is a benzothiadiazine.

CAS Number	3568-00-1
PubChem CID	71652
IUPAC Name	6-chloro-3-(3-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular Formula	C13H20ClN3O4S2
Molecular Weight	381.9
XLogP	2.4
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	629

SMILES

CCC(C)C(C)C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H20ClN3O4S2/c1-4-7(2)8(3)13-16-10-5-9(14)11(22(15,18)19)6-12(10)23(20,21)17-13/h5-8,13,16-17H,4H2,1-3H3,(H2,15,18,19)

InChIKey

KJLLKLRVCJAFRY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3568-00-1

CID: 71652

Formula: C13H20ClN3O4S2

MW: 381.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.9
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	381.0583762
Monoisotopic Mass	381.0583762
Topological Polar Surface Area	135 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	629
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-M202550-250MG	Mebutizide