Ethiazide

CAT: 0926-BAA82458-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA82458-03Size:50 mg

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CAS Number

1824-58-4

MDL Number

MFCD00867314

Smiles

C1=CC=C2C (=C1) C (=C (S2) C=O) N

Molecular Formula

C9H12ClN3O4S2

Molecular Weight

325.8 g/mol

Controlled

Chemical Information

Ethiazide

Ethiazide is a benzothiadiazine.

CAS Number	1824-58-4
PubChem CID	15763
IUPAC Name	6-chloro-3-ethyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular Formula	C9H12ClN3O4S2
Molecular Weight	325.8
XLogP	0.3
Topological Polar Surface Area	135
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	539

SMILES

CCC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

InChI

InChI=1S/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)

InChIKey

VXLCNTLWWUDBSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1824-58-4

CID: 15763

Formula: C9H12ClN3O4S2

MW: 325.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.8
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	324.9957759
Monoisotopic Mass	324.9957759
Topological Polar Surface Area	135 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	539
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OL44933-01	LacDiNAc dimer ethylazide
IZC22415	Glcnacβ (1-2) man-α-ethylazide
OG136916	GalNAc-b-1-4-Gal-b-1-4-Glc-b-ethylazide
OG136917	Gal-b-1-3-GalNAc-b-1-4-Gal-b-1-4-Glc-b-ethylazide

Catalog	Name
HY-120147	Ethiazide