sodiumthiol hydrate

• ChemBase ID: 158702
• Molecular Formular: H3NaOS
• Molecular Mass: 74.07799
• Monoisotopic Mass: 73.98023
• SMILES: O.[Na]S
• Canonical SMILES: [Na]S.O
• InChI: InChI=1S/Na.H2O.H2S/h;2*1H2/q+1;;/p-1
• InChIKey: ZNKXTIAQRUWLRL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodiumthiol hydrate
• IUPAC Traditional name: sodium hydrosulfide hydrate
• Synonyms: Sodium hydrosulfide hydrate; 硫氢化钠 水合物

Database IDs

• CAS Number: 207683-19-0
• EC Number: 240-778-0
• MDL Number: MFCD00149796
• PubChem SID: 24849937; 162252838
• PubChem CID: 16211346

CALCULATED PROPERTIES

• Acid pKa: 10.385858
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -1.0992055
• LogD (pH = 7.4): -1.0996314
• Log P: -1.0992
• Molar Refractivity: 6.5558 cm^3
• Polarizability: 5.42621 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 52-54 °C(lit.)
• Flash Point: 194 °F; 90 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2949
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 31-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• 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 2949 8/PG 2

Product Information

• Grade: CP
• Linear Formula: NaSH·xH2O

DETAILS

Sigma Aldrich - 161527

Frequently Asked Questions
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Packaging
1 kg in glass bottle
3 kg in steel drum
5, 100 g in glass bottle