133-67-5
Product Name:
Trichlormethiazide
Formula:
C8H8Cl3N3O4S2
Synonyms:
6-Chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
(+/-)-;NSC 61560
Inquiry
(+/-)-;NSC 61560
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | CRYSTALS FROM METHANOL + ACETONE + WATER |
| Odor | ODORLESS OR HAS SLIGHT CHARACTERISTIC ODOR |
| Melting Point | 270 dec °C |
| Solubility | 800 mg/L (at 25 °C) |
| LogP | 0.62 |
| LogS | -2.68 |
| Stability/Shelf Life | LIGHT-SENSITIVE, BUT STABLE IN AIR & HEAT |
| Decomposition | When heated to decomposition it emits very toxic fumes such as sulfoxides, /hydrogen chloride/, and nitroxides. |
| Dissociation Constants | 8.6 |
| Other Experimental Properties | DECOMP AT 266-273 °C, ALSO REPORTED AS 248-250 °C |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 380.7 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 378.902181 g/mol |
| Monoisotopic Mass | 378.902181 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 571 |
| 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 |
PRODUCT INTRODUCTION
description
Trichlormethiazide is a benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension. It has a role as a diuretic and an antihypertensive agent. It is a benzothiadiazine and a sulfonamide antibiotic.