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Cas Database |
| Name |
2-Methyl-2-thiopseudourea sulfate |
EINECS | 212-759-7 |
| CAS No. | 867-44-7 | Density | 1.28 g /cm3 |
| PSA | 158.15000 | LogP | 1.47090 |
| Solubility | H2O: 0.1 g/mL, clear, colorless | Melting Point |
240-241 °C (dec.)(lit.) |
| Formula | (C2H6N2S)2.H2SO4 | Boiling Point | 138.8 °C at 760 mmHg |
| Molecular Weight | 278.378 | Flash Point | 37.7 °C |
| Transport Information | N/A | Appearance | white crystalline powder |
| Safety | 22-24/25 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Pseudourea, 2-methyl-2-thio-, sulfate (2:1);Carbamimidothioic acid, methyl-, sulfate (2:1);S-Methylisothiourea sulfate (2:1);Bis(2-methylisothiouronium) sulphate;S-Methylthiouronium sulfate (2:1);S-Methylisothiourea sulfate;S-Methylisothiourea hemisulfate;Pseudourea, 2-methyl-2-thio-, hydrogen sulfate;NSC 516;Methylthiopseudourea sulfate;Methylcarbamimidothioate sulfate (2:1);AI3-50026;2-Methyl-2-thiopseudourea sulfate (2:1); |
Article Data | 12 |
2-Methyl-2-thiopseudourea sulfate Synthetic route
| Conditions | Yield |
|---|---|
| In water at 25 - 80℃; for 7h; Heating / reflux; | 80% |
| With N-benzyl-N,N,N-triethylammonium chloride In water for 6h; Reflux; | 78% |
| In water at 80℃; for 6.5h; | 26% |
- 24424-99-5
di-tert-butyl dicarbonate
- 867-44-7
S-Methylisothiourea sulfate
- 322474-21-5
N,N'-bis-Boc-S-methyl-isothiourea
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In dichloromethane at 20℃; for 18h; | 100% |
- 867-44-7
S-Methylisothiourea sulfate
- 134731-32-1
1-[4-(methylthio)phenyl]-4,4,4-trifluorobutane-1,3-dione
- 342651-54-1
2-(methylthio)-4-[4-(methylthio)phenyl]-6-(trifluoromethyl) pyrimidine
| Conditions | Yield |
|---|---|
| With sodium acetate In acetic acid for 8h; Heating / reflux; | 100% |
| With sodium acetate In acetic acid for 8h; Heating / reflux; | 100% |
- 867-44-7
S-Methylisothiourea sulfate
| Conditions | Yield |
|---|---|
| Stage #1: 4-{[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}benzoic acid With N-ethyl-N,N-diisopropylamine; fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate In DMF (N,N-dimethyl-formamide) at 20℃; for 0.166667h; Stage #2: S-Methylisothiourea sulfate In DMF (N,N-dimethyl-formamide) at 20℃; | 100% |
- 867-44-7
S-Methylisothiourea sulfate
- 900514-75-2
methyl N-[(15-methyl-8-nitrotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-15-yl)carbonyl]imidothiocarbamate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In dichloromethane; water at 0℃; for 1h; | 99% |
| Conditions | Yield |
|---|---|
| With caesium carbonate In dimethyl sulfoxide at 80℃; for 4h; Reagent/catalyst; Temperature; Solvent; | 99% |
| Conditions | Yield |
|---|---|
| With caesium carbonate In dimethyl sulfoxide at 80℃; for 1h; | 99% |
| Conditions | Yield |
|---|---|
| With caesium carbonate In dimethyl sulfoxide at 80℃; for 1h; | 96% |
- 867-44-7
S-Methylisothiourea sulfate
- 586-78-7
para-nitrophenyl bromide
- 701-57-5
1-methylthio-4-nitro-benzene
| Conditions | Yield |
|---|---|
| With caesium carbonate In dimethyl sulfoxide at 80℃; for 1h; | 96% |
2-Methyl-2-thiopseudourea sulfate Chemical Properties
Molecular structure of Carbamimidothioic acid, methyl ester, sulfate (2:1) (CAS NO.867-44-7) is:
Product Name: Carbamimidothioic acid, methyl ester, sulfate (2:1)
CAS Registry Number: 867-44-7
IUPAC Name: Methyl carbamimidothioate; sulfuric acid
Molecular Weight: 278.37336 [g/mol]
Molecular Formula: C4H14N4O4S3
H-Bond Donor: 6
H-Bond Acceptor: 8
Solubility: H2O: 0.1 g/mL, clear, colorless
Density: 1.28 g/cm3
Water Solubility: 260 g/L (20 °C)
Stability: Stable. Incompatible with strong oxidizing agents.
Melting Point: 240-241 °C (dec.)(lit.)
Flash Point: 37.7 °C
Enthalpy of Vaporization: 37.61 kJ/mol
Boiling Point: 138.8 °C at 760 mmHg
Vapour Pressure: 6.62 mmHg at 25°C
Product Categories: pharmacetical; Nitric Oxide
2-Methyl-2-thiopseudourea sulfate Uses
Carbamimidothioic acid, methyl ester, sulfate (2:1) (CAS NO.867-44-7) is used as pharmaceutical intermediates and pesticide intermediates.
2-Methyl-2-thiopseudourea sulfate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LDLo | intravenous | 663mg/kg (663mg/kg) | Therapie. Vol. 14, Pg. 700, 1959. | |
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | National Technical Information Service. Vol. AD438-895, | |
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05644, |
2-Methyl-2-thiopseudourea sulfate Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22
22: Harmful if swallowed
Safety Statements: 22-24/25
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
WGK Germany: 3
RTECS: UM9200000
HS Code: 29309070
2-Methyl-2-thiopseudourea sulfate Specification
Carbamimidothioic acid, methyl ester, sulfate (2:1) , its cas register number is 867-44-7. It also can be called 2-Methyl-2-thiopseudourea sulfate ; 2-Methyl-2-thiopseudourea sulfate (2:1) ; AI3-50026 ; Methylcarbamimidothioate sulfate (2:1) ; Methylthiopseudourea sulfate ; NSC 516 ; Pseudourea, 2-methyl-2-thio-, hydrogen sulfate ; S-Methylisothiourea hemisulfate ; S-Methylisothiourea sulfate ; S-Methylisothiourea sulfate (2:1) ; S-Methylthiouronium sulfate (2:1) ; Bis(2-methylisothiouronium) sulphate ; Carbamimidothioic acid, methyl-, sulfate (2:1) ; Pseudourea, 2-methyl-2-thio-, sulfate (2:1) . It is a white crystalline powder.
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