N,N-bis(2-methylpropyl)(ethylsulfanyl)formamide

• ChemBase ID: 158272
• Molecular Formular: C11H23NOS
• Molecular Mass: 217.37142
• Monoisotopic Mass: 217.15003536
• SMILES: CCSC(=O)N(CC(C)C)CC(C)C
• Canonical SMILES: CCSC(=O)N(CC(C)C)CC(C)C
• InChI: InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
• InChIKey: BMTAFVWTTFSTOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(2-methylpropyl)(ethylsulfanyl)formamide
• IUPAC Traditional name: sutan
• Synonyms: S-Ethyl N,N-diisobutylthiocarbamate; Butylat; S-乙基-N,N-二异丁基硫代氨基甲酸酯; 丁草特

Database IDs

• CAS Number: 2008-41-5
• EC Number: 217-916-3
• MDL Number: MFCD00055338
• Beilstein Number: 1770420
• PubChem SID: 24868832; 162252408
• PubChem CID: 16181

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.532621
• LogD (pH = 7.4): 3.532621
• Log P: 3.532621
• Molar Refractivity: 64.4648 cm^3
• Polarizability: 25.30375 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: EZ7525000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20-51/53
• Safety Statements: 60
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H332-H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Pharmacology Properties

• Gene Information: human ... EPHX2(2053)mouse ... Ephx2(13850)

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C11H23NOS

DETAILS

Sigma Aldrich - 45363

Legal Information
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