Ethanol,2-[(1,1-dim...

Ethanol,2-[(1,1-dimethylethyl)thio]- 5396-50-9

Ethanol,2-[(1,1-dimethylethyl)thio]- 5396-50-9

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  • Purity: 99%
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Ethanol,2-[(1,1-dimethylethyl)thio]- 5396-50-9 C6H14 O S

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  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Ethanol,2-[(1,1-dimethylethyl)thio]-
【Iupac name】
2-tert-butylsulfanylethanol
【CAS Registry number】
5396-50-9
【Synonyms】
Ethanol,2-(tert-butylthio)- (7CI,8CI)
2-(tert-Butylthio)ethanol
2-[(1,1-Dimethylethyl)thio]ethanol
NSC 2241
【EINECS(EC#)】
226-413-8
【Molecular Formula】
C6H14 O S (Products with the same molecular formula)
【Molecular Weight】
134.23976
【Inchi】
InChI=1/C6H14OS/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3
【Canonical SMILES】
CC(C)(C)SCCO
【MOL File】
5396-50-9.mol
Chemical and Physical Properties
【Density】
0.965g/cm3
【Boiling Point】
203.6°Cat760mmHg
【Refractive Index】
1.477
【Flash Point】
99.9°C
【Computed Properties】
Molecular Weight:134.23976 [g/mol]
Molecular Formula:C6H14OS
XLogP3-AA:1.2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:3
Exact Mass:134.076536
MonoIsotopic Mass:134.076536
Topological Polar Surface Area:45.5
Heavy Atom Count:8
Formal Charge:0
Complexity:56
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:4

 

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