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Ethyl isopropyl sulfide 95%

CAT: 0286-E11860Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-E11860Size:10 g
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CAS Number
5145-99-3
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00039908
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Ethyl isopropyl sulphide

Ethylisopropyl sulfide is an aliphatic sulfide.

CAS Number5145-99-3
PubChem CID21228
IUPAC Name2-ethylsulfanylpropane
Molecular FormulaC5H12S
Molecular Weight104.22
XLogP2
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity25
SMILES
CCSC(C)C
InChI
InChI=1S/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3
InChIKey
NZUQQADVSXWVNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl isopropyl sulphide
CAS: 5145-99-3
CID: 21228
Formula: C5H12S
MW: 104.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.22
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass104.06597156
Monoisotopic Mass104.06597156
Topological Polar Surface Area25.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity25.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
OR1079284-01Ethyl Isopropyl Sulfide
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