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5-Chloro Hydrochlorothiazide

CAT: 0572-TRC-C366550-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C366550-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5233-42-1
Synonyms
5-Chlorohydrochlorothiazide; 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 5,6-dichloro-3,4-dihydro-, 1,1-dioxide; 5,6-Dichloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
NS(=O)(=O)c1cc2c(NCNS2(=O)=O)c(Cl)c1Cl
Molecular Formula
C7 H7 Cl2 N3 O4 S2
Molecular Weight
332.18
InChI
InChI=1S/C7H7Cl2N3O4S2/c8-5-3(17(10,13)14)1-4-7(6(5)9)11-2-12-18(4,15)16/h1,11-12H,2H2,(H2,10,13,14)
Additionnal Information
IUPAC name: 5,6-dichloro-1,1-dioxo-3,4-dihydro-2H-1λ^{6},2,4-benzothiadiazine-7-sulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Chlorohydrochlorothiazide

See also: Hydrochlorothiazide 5-chloro impurity (annotation moved to).

CAS Number5233-42-1
PubChem CID6432522
IUPAC Name5,6-dichloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
Molecular FormulaC7H7Cl2N3O4S2
Molecular Weight332.2
XLogP0.6
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity526
SMILES
C1NC2=C(C(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)Cl
InChI
InChI=1S/C7H7Cl2N3O4S2/c8-5-3(17(10,13)14)1-4-7(6(5)9)11-2-12-18(4,15)16/h1,11-12H,2H2,(H2,10,13,14)
InChIKey
BSNKBIJVLZUERH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chlorohydrochlorothiazide
CAS: 5233-42-1
CID: 6432522
Formula: C7H7Cl2N3O4S2
MW: 332.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.2
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass330.9255034
Monoisotopic Mass330.9255034
Topological Polar Surface Area135 Ų
Heavy Atom Count18
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T35842-015-chloro Hydrochlorothiazide
RM-H032004-01Hydrochlorothiazide 5-Chloro Impurity
CS-O-42816N-Nitroso 5-Chloro Hydrochlorothiazide
AR-H07699-01N-Nitroso 5-Chloro Hydrochlorothiazide-2
AR-H07698-01N-Nitroso 5-Chloro Hydrochlorothiazide-1
AR-H01181-01Hydrochlorothiazide Impurity 5
H8995Hydrochlorothiazide (6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide)
H8995-01Hydrochlorothiazide-13c1, d2 (6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-13c1, d2-7-sulfonamide 1,1-Dioxide)
MBS6110271-01Hydrochlorothiazide-13c1,d2 (6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-13c1,d2-7-sulfonamide 1,1-Dioxide)
sc-207738DHydrochlorothiazide

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