4,5-dimethyl-N-(prop-2-en-1-yl)-2-(trimethylsilyl)thiophene-3-carboxamide

• ChemBase ID: 157435
• Molecular Formular: C13H21NOSSi
• Molecular Mass: 267.46244
• Monoisotopic Mass: 267.11131183
• SMILES: Cc1c(sc(c1C(=O)NCC=C)[Si](C)(C)C)C
• Canonical SMILES: C=CCNC(=O)c1c(C)c(sc1[Si](C)(C)C)C
• InChI: InChI=1S/C13H21NOSSi/c1-7-8-14-12(15)11-9(2)10(3)16-13(11)17(4,5)6/h7H,1,8H2,2-6H3,(H,14,15)
• InChIKey: MXMXHPPIGKYTAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethyl-N-(prop-2-en-1-yl)-2-(trimethylsilyl)thiophene-3-carboxamide
• IUPAC Traditional name: 4,5-dimethyl-N-(prop-2-en-1-yl)-2-(trimethylsilyl)thiophene-3-carboxamide
• Synonyms: N-Allyl-4,5-dimethyl-2-(trimethylsilyl)thiophene-3-carboxamide; Silthiofam; N-烯丙基-4,5-二甲基-2-(三甲基甲硅烷基)噻吩-3-甲酰胺; 硅噻菌胺

Database IDs

• CAS Number: 175217-20-6
• MDL Number: MFCD04112621
• PubChem SID: 162251572
• PubChem CID: 9881821

CALCULATED PROPERTIES

• Acid pKa: 15.210501
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9508975
• LogD (pH = 7.4): 3.9509
• Log P: 3.9509
• Molar Refractivity: 71.6226 cm^3
• Polarizability: 29.08219 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Risk Statements: 52/53
• Safety Statements: 61

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C13H21NOSSi

DETAILS

Sigma Aldrich - 32498

Legal Information
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