tris[(dimethylcarbamothioyl)sulfanyl]iron

• ChemBase ID: 158035
• Molecular Formular: C9H18FeN3S6
• Molecular Mass: 416.49432
• Monoisotopic Mass: 415.91743609
• SMILES: CN(C)C(=S)S[Fe](SC(=S)N(C)C)SC(=S)N(C)C
• Canonical SMILES: CN(C(=S)S[Fe](SC(=S)N(C)C)SC(=S)N(C)C)C
• InChI: InChI=1S/3C3H7NS2.Fe/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3
• InChIKey: WHDGWKAJBYRJJL-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris[(dimethylcarbamothioyl)sulfanyl]iron
• IUPAC Traditional name: ferbam
• Synonyms: Iron(III) dimethyldithiocarbamate; Ferbam; 二甲基二硫代氨基甲酸铁(III); 福美铁

Database IDs

• CAS Number: 14484-64-1
• EC Number: 238-484-2
• MDL Number: MFCD00067269
• Beilstein Number: 3706105
• PubChem SID: 162252171; 24868998
• PubChem CID: 12891182

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1278
• LogD (pH = 7.4): 4.1278
• Log P: 4.1278
• Molar Refractivity: 103.8612 cm^3
• Polarizability: 43.646202 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: NO8750000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H410
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Description: technical mixture
• Empirical Formula (Hill Notation): C9H18FeN3S6

DETAILS

Sigma Aldrich - 45496

Legal Information
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