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| CAS No.: | 141-84-4 |
|---|---|
| Name: | Rhodanine |
| Molecular Structure: | |
|
|
|
| Formula: | C3H3NOS2 |
| Molecular Weight: | 133.195 |
| Synonyms: | 4-Oxo-2-thionothiazolidine;4-Oxo-2-thioxothiazolidine;4-Thiazolidinone-2-thione;NSC 1899;Rhodaninicacid;Rhodanine(6CI,8CI);2-Thio-4-ketothiazolidine;2-Thioxo-1,3-thiazolidin-4-one;2-Thioxo-4-thiazolidinone;4-Oxo-1,3-thiazolidine-2-thione;4-Oxo-2-thiazolidinethione; |
| EINECS: | 205-505-1 |
| Density: | 1.59 g/cm3 |
| Melting Point: | 165-169 °C(lit.) |
| Boiling Point: | 218.2 °C at 760 mmHg |
| Flash Point: | 85.7 °C |
| Solubility: | soluble in hot water |
| Appearance: | light yellow to beige fine crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-41 |
| Safety: | 22-26-39 |
| Transport Information: | UN 3288 |
| PSA: | 86.49000 |
| LogP: | 0.46310 |
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| Conditions | Yield |
|---|---|
| Stage #1: carbon disulfide With ammonium hydroxide In water at 40℃; for 0.5h; Stage #2: sodium monochloroacetic acid In water for 0.416667 - 0.583333h; Stage #3: With hydrogenchloride In water at 100 - 110℃; | 94% |
| Stage #1: carbon disulfide With ammonia Stage #2: sodium monochloroacetic acid at 80℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium acetate; acetic acid In N,N-dimethyl-formamide | A 83% B n/a |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In toluene at 110℃; for 8h; Catalytic behavior; Solvent; Reagent/catalyst; Temperature; | 77% |
| With sulfuric acid In toluene at 80℃; for 20h; Temperature; |
- 141-84-4
2-thioxo-4-thiazolidinone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 90 - 95℃; | 70% |
| Conditions | Yield |
|---|---|
| With triethylamine In water; acetone for 0.5h; | 68% |
| With triethylamine In water; acetone for 0.5h; Product distribution; Mechanism; Ambient temperature; other N-substituted dithiocarbamates investigated; | 68% |
| Conditions | Yield |
|---|---|
| In water for 0.333333h; Reflux; | 45% |
| Conditions | Yield |
|---|---|
| With water |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium nitrite |
| Conditions | Yield |
|---|---|
| With diethyl ether |
- 29596-83-6
(thiocarbamoylthio)acetic acid
- 141-84-4
2-thioxo-4-thiazolidinone
| Conditions | Yield |
|---|---|
| beim Erhitzen auf den Schmelzpunkt; | |
| With water | |
| With acid |
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Chemistry
Molecular Formula: C3H3NOS2
Molar Mass: 133.19 g/mol
EINECS: 205-505-1
Density: 1.59 g/cm3
Flash Point: 85.7 °C
Index of Refraction: 1.711
Boiling Point: 218.2 °C at 760 mmHg
Vapour Pressure: 0.128 mmHg at 25 °C
Melting Point: 165-169 °C(lit.)
Water Solubility: soluble
Appearance: light yellow to beige fine crystalline powder
Product categories of Rhodanine (141-84-4): Miscellaneous;Thiazoles, Isothiazoles & Benzothiazoles
Structure of Rhodanine (CAS NO.141-84-4):
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Systematic Name: 2-Thioxothiazolidin-4-one
SMILES: O=C1NC(=S)SC1
InChI: InChI=1/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey: KIWUVOGUEXMXSV-UHFFFAOYAP
Std. InChI: InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
Std. InChIKey: KIWUVOGUEXMXSV-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,202. | ||
| 2. | eye-rbt 750 µg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,202. | ||
| 3. | orl-rat LD50:320 mg/kg | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,1093. | ||
| 4. | orl-mus LD50:225 mg/kg | FRZKAP Farmatsevtichnii Zhurnal (Kiev). 17 (1)(1962),36. | ||
| 5. | ipr-mus LD50:200 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . | ||
| 6. | scu-mus LDLo:200 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 12 (1904),447. | ||
| 7. | ivn-mus LD50:32 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04798 . |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22-41
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
Safety Statements: 22-26-39
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
RIDADR: 3288
WGK Germany: 3
RTECS: VI7700000
HazardClass: 6.1(a)
PackingGroup: II
HS Code: 29341000
Hazardous Substances Data: 141-84-4(Hazardous Substances Data)
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. A skin and severe eye irritant. May explode on rapid heating. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Specification
Rhodanine (CAS NO.141-84-4) also can be called Rhodanine derivative ; 2-Thioxo-1,3-thiazolidin-4-one ; 4-Thiazolidinone, 2-thioxo- ; Rhodanic acid and 2-mercaptothiazolinone . Rhodanine (CAS NO.141-84-4) may explode on rapid heating. It is water soluble. Rhodanine may generate hydrogen sulfide with acids. It may generate heat and hydrogen gas with alkali metals, nitrides, hydrides, and other strong reducing agents.