S-Methylisothiourea Sulfate , 98% , 867-44-7

CAS NO.：867-44-7

Empirical Formula: C2H8N2O4S2

Molecular Weight: 188.23

MDL number: MFCD00129752

EINECS: 212-759-7

PRODUCT Properties

• Melting point: 240-241 °C (dec.)(lit.)
• Density: 1.28
• Flash point: 3℃
• storage temp.: Inert atmosphere,Room Temperature
• solubility: H₂O: 0.1 g/mL, clear, colorless
• form: Crystals or Crystalline Powder
• pka: pK1:9.83(＋1) (25°C)
• color: White
• PH: 5.5 (260g/l, H2O, 20℃)
• Water Solubility: 260 g/L (20 ºC)
• Sensitive: Hygroscopic
• BRN: 3917217
• Stability: Stable. Incompatible with strong oxidizing agents.
• InChI: 1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
• InChIKey: BZZXQZOBAUXLHZ-UHFFFAOYSA-N
• SMILES: CSC(N)=N.CSC(N)=N.OS(O)(=O)=O
• CAS DataBase Reference: 867-44-7(CAS DataBase Reference)
• EPA Substance Registry System: Carbamimidothioic acid, methyl ester, sulfate (2:1) (867-44-7)

Description and Uses

SMIT is a potent non-selective inhibitor of NOS isoforms in vitro but may lack good in vivo efficacy due to poor cellular penetration. The K_i values are 120, 200, and 160 nM using purified human iNOS, eNOS, and nNOS, respectively.

Intermediate of 4-Hydroxydebrisoquine. S-Methyl-isothiouronium Hemisulfate is also a reagent used in the synthesis of strobilurin-pyrimidine derivatives for their anti-proliferative activity.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P264-P270-P301+P312a-P330-P501a
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xn
• Risk Statements: 22
• Safety Statements: 22-24/25
• WGK Germany: 3
• RTECS: UM9200000
• TSCA: TSCA listed
• HS Code: 29309070
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral