N,N-dimethylmethanethioamide

• ChemBase ID: 69306
• Molecular Formular: C3H7NS
• Molecular Mass: 89.15938
• Monoisotopic Mass: 89.02992023
• SMILES: C(=S)N(C)C
• Canonical SMILES: S=CN(C)C
• InChI: InChI=1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3
• InChIKey: SKECXRFZFFAANN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylmethanethioamide
• IUPAC Traditional name: N,N-dimethylmethanethioamide
• Synonyms: N,N-Dimethylthioformamide; N,N-DIMETHYL THIOFORMAMIDE; N,N-Dimethylthioformamide; N,N-二甲基硫代甲酰胺

Database IDs

• CAS Number: 758-16-7
• EC Number: 212-060-7
• MDL Number: MFCD00004943
• Beilstein Number: 1737191
• PubChem SID: 24849757; 162035033
• PubChem CID: 69794

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.7758216
• LogD (pH = 7.4): 0.7758216
• Log P: 0.7758216
• Molar Refractivity: 27.7282 cm^3
• Polarizability: 10.840952 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 58-60 °C/1 mmHg(lit.); 58-60°C/1mm
• Flash Point: 210.2 °F; 99 °C
• Density: 1.047 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.576(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38; 21/22; R:36/37/38
• Safety Statements: 36/37; 9-26-36/37; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H312
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: ≥98%; 95+%; 97%
• Linear Formula: HCSN(CH3)2

DETAILS

MP Biomedicals - 05224414

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 163643

Packaging
25 g in glass bottle