sodium (methylcarbamothioyl)sulfanide

• ChemBase ID: 128301
• Molecular Formular: C2H4NNaS2
• Molecular Mass: 129.17963
• Monoisotopic Mass: 128.96828541
• SMILES: [Na+].[S-]C(=S)NC
• Canonical SMILES: [S-]C(=S)NC.[Na+]
• InChI: InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1
• InChIKey: AFCCDDWKHLHPDF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium (methylcarbamothioyl)sulfanide
• IUPAC Traditional name: sodium (methylcarbamothioyl)sulfanide
• Synonyms: Carbathion; Carbathione; Carbothion; Metamsodium; Metam-sodium; Metham sodium; Sodium methyldithiocarbamate; Metam-sodium hydrate; 甲基二硫代氨基甲酸钠; 威百亩 水合物

Database IDs

• CAS Number: 137-42-8; 6734-80-1
• EC Number: 205-293-0
• MDL Number: MFCD00078694
• PubChem SID: 162222609; 24868588
• PubChem CID: 5366415
• Chemspider ID: 2273119
• Wikipedia Title: Metham_sodium

CALCULATED PROPERTIES

• Acid pKa: 2.0461686
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -0.07084791
• LogD (pH = 7.4): -0.07278815
• Log P: 1.0701687
• Molar Refractivity: 31.364 cm^3
• Polarizability: 12.369517 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F

Safety Information

• RTECS: FC2150000
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-31-34-43-50/53
• Safety Statements: 26-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H317-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P310-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Supplemental Hazard Statements: Contact with acids liberates toxic gas.
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C2H4NNaS2 · xH2O

DETAILS

Sigma Aldrich - 45570

Legal Information
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