Basic information
- Name:
Carbamimidothioic acid, methyl ester, sulfate (2:1)
- Superlist Name:
- 2-Methyl-2-thiopseudourea sulfate
- CAS No.:
867-44-7
- Molecular Structure:
- Formula:
- (C2H6N2S)2.H2SO4
- Molecular Weight:
- 278.36
- Deleted CAS:
- 72046-63-0
- 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);
- EINECS:
- 212-759-7
- Density:
- 1.28 g /cm3
- Melting Point:
- 240-241 °C (dec.)(lit.)
- Boiling Point:
- 138.8 °C at 760 mmHg
- Flash Point:
- 37.7 °C
- Solubility:
- H2O: 0.1 g/mL, clear, colorless
- Appearance:
- white crystalline powder
- Hazard Symbols:
Xn- Risk Codes:
- 22
- Safety Description:
- 22-24/25 Details
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Chemistry
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
Uses
Carbamimidothioic acid, methyl ester, sulfate (2:1) (CAS NO.867-44-7) is used as pharmaceutical intermediates and pesticide intermediates.
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, |
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
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.