1-benzothiophen-2-yltributylstannane

• ChemBase ID: 13713
• Molecular Formular: C20H32SSn
• Molecular Mass: 423.23408
• Monoisotopic Mass: 424.12466602
• SMILES: s1c(cc2c1cccc2)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cc2c(s1)cccc2)(CCCC)CCCC
• InChI: InChI=1S/C8H5S.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3
• InChIKey: UJPVMOUQRNYNSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzothiophen-2-yltributylstannane
• IUPAC Traditional name: 1-benzothiophen-2-yltributylstannane
• Synonyms: (Benzo[b]thiophen-2-yl)tributylstannane; 2-Tributylstannylbenzo[b]thiophene; Benzo[b]thien-2-yltributylstannane; 2-Tributylstannylbenzo[b]thiophene; 苯并[b]噻吩-2-基三丁基锡烷; 2-三丁基锡苯并[b]噻吩

Database IDs

• CAS Number: 148961-88-0
• MDL Number: MFCD01318936
• PubChem SID: 160977020; 24885789
• PubChem CID: 2735461

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8012
• LogD (pH = 7.4): 5.8012
• Log P: 5.8012
• Molar Refractivity: 96.39 cm^3
• Polarizability: 43.860374 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 1.184 g/mL at 25 °C
• Refractive Index: n20/D 1.5637

Safety Information

• Storage Warning: IRRITANT, KEEP COLD
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• TSCA Listed: false
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C20H32SSn

DETAILS

Sigma Aldrich - 683930

Packaging
1 g in glass bottle