[methoxy(methylsulfanyl)phosphoryl]amine

• ChemBase ID: 128302
• Molecular Formular: C2H8NO2PS
• Molecular Mass: 141.129181
• Monoisotopic Mass: 141.00133613
• SMILES: O=P(OC)(SC)N
• Canonical SMILES: COP(=O)(SC)N
• InChI: InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
• InChIKey: NNKVPIKMPCQWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [methoxy(methylsulfanyl)phosphoryl]amine
• IUPAC Traditional name: tamaron
• Synonyms: Methamidophos solution; O,S-Dimethyl phosphoramidothioate; Methamidophos; Methamidophos; 甲胺磷 溶液; O,S-二甲基硫代磷酰胺; 甲胺磷

Database IDs

• CAS Number: 10265-92-6
• EC Number: 233-606-0; 200-835-2
• MDL Number: MFCD00041808
• Beilstein Number: 8137714
• PubChem SID: 24860205; 162222610; 24899270; 24870062
• PubChem CID: 4096
• CHEBI ID: 38721
• CHEMBL: 504888
• Chemspider ID: 3954
• KEGG ID: C18667
• Wikipedia Title: Methamidophos

CALCULATED PROPERTIES

• Acid pKa: 15.568588
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.31829
• LogD (pH = 7.4): -0.31829
• Log P: -0.31829
• Molar Refractivity: 31.6786 cm^3
• Polarizability: 12.748116 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-45 °C; 44.5°C
• Boiling Point: thermally unstable
• Flash Point: 2 °C; 212 °C; 35.6 °F; 413.6 °F
• Density: 1.31 g/cm3

Safety Information

• RTECS: TB4970000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+); Harmful (Xn)
• UN Number: 1648; 2811
• German water hazard class: 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 2
• Risk Statements: 11-20/21/22-36; 24-26/28-50
• Safety Statements: 16-36/37; 28-36/37-45-61
• GHS Pictograms: GHS02; GHS06; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302 + H312 + H332-H319; H300 +H310 + H330-H400
• GHS Precautionary statements: P210-P280-P305 + P351 + P338; P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1648 3/PG 2; UN 2811 6.1/PG 2
• Storage Temperature: -20°C; 2-8°C

Product Information

• Concentration: 100 ng/μL in acetonitrile
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg
• Suitability: passes test for identity (NMR)
• Impurities: ≤0.5% water (Karl Fischer)
• Empirical Formula (Hill Notation): C2H8NO2PS

DETAILS

Sigma Aldrich - 46342

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 33395

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH