methanethiol

• ChemBase ID: 128309
• Molecular Formular: CH4S
• Molecular Mass: 48.10746
• Monoisotopic Mass: 48.00337113
• SMILES: SC
• Canonical SMILES: CS
• InChI: InChI=1S/CH4S/c1-2/h2H,1H3
• InChIKey: LSDPWZHWYPCBBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanethiol
• IUPAC Traditional name: methanethiol
• Synonyms: Mercaptan C1; Methanethiol; methyl mercaptan; mercaptomethane; thiomethyl alcohol; Methanethiol; C1 硫醇; 巯基甲烷; 甲硫醇

Database IDs

• CAS Number: 74-93-1
• EC Number: 200-822-1
• MDL Number: MFCD00004866
• Beilstein Number: 1696840
• PubChem SID: 24857792; 162222617
• PubChem CID: 878
• CHEBI ID: 16007
• Chemspider ID: 855
• KEGG ID: C00409
• Unique Ingredient Identifier: 2X8406WW9I
• Wikipedia Title: Methanethiol

CALCULATED PROPERTIES

• Acid pKa: 10.336813
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 0.8365644
• LogD (pH = 7.4): 0.8361044
• Log P: 0.83657026
• Molar Refractivity: 14.2407 cm^3
• Polarizability: 5.6283035 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2% in water; alcohol, ether
• Melting Point: -123 °C(lit.); -123°C
• Boiling Point: 5.95°C; 6 °C(lit.)
• Flash Point: -.4 °F; -18 °C
• Vapor Pressure: 1536 mmHg ( 20 °C)
• Vapor Density: 1.66 (vs air)
• pKa: ~10.4

Safety Information

• RTECS: PB4375000
• European Hazard Symbols: Highly flammable (F+); Nature polluting (N); Toxic (T)
• UN Number: 1064; 2037
• German water hazard class: 3
• Hazard Class: 2.3
• Risk Statements: 12-23-50/53; R12, R23, R50/53
• Safety Statements: 16-25-60-61; S16, S25, S33S60, S61
• GHS Pictograms: GHS02; GHS04; GHS06; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  4

  4

  1
• Explode Limits: 21.8 %
• GHS Hazard statements: H220-H280-H331-H410
• GHS Precautionary statements: P210-P261-P273-P311-P410 + P403-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1064 2.3; UN 2037 2.3

Product Information

• Purity: ≥99.0%; ≥99.5%
• Grade: purum
• Linear Formula: CH3SH

DETAILS

Sigma Aldrich - 67781

Other Notes
Sales restrictions may apply
Packaging
pressure tin with 250 mL (net ~205 g)

Sigma Aldrich - 295515

Packaging
170, 227 g in steel cylinder
Recommended products
Stainless steel control valves Z146951, Z187224 or either of stainless steel regulators Z148504 and Z148512 and a "T"-purge valve Z151661 is recommended.

Sigma Aldrich - 67778

Other Notes
Sales restrictions may apply
Packaging
pressure tin with 25 mL (net 22 g)

Sigma Aldrich - 67779

Other Notes
Sales restrictions may apply
Packaging
pressure tin with 100 mL (net ~87 g)