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Tert-Butyl sulfide 98%

CAT: 0286-B30810-01Size: 25 mLDry Ice: NoHazardous: Yes
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CAT#:0286-B30810-01Size:25 mL
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CAS Number
107-47-1
Synonyms
Di-tert-butyl sulfide; 2,2,4,4-Teteramethyl-3-thiapentane
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008839
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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Propane, 2,2'-thiobis(2-methyl-
CAS Number107-47-1
PubChem CID7872
IUPAC Name2-tert-butylsulfanyl-2-methylpropane
Molecular FormulaC8H18S
Molecular Weight146.30
XLogP2.8
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
CC(C)(C)SC(C)(C)C
InChI
InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
InChIKey
LNMBCRKRCIMQLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propane, 2,2'-thiobis(2-methyl-
CAS: 107-47-1
CID: 7872
Formula: C8H18S
MW: 146.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.30
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass146.11292175
Monoisotopic Mass146.11292175
Topological Polar Surface Area25.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity69.7
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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Alternative Products

CatalogName
OR1015158-01Tert-Butyl Sulfide
OR1044155-01Tert-butyl methyl sulfide
abx185563-01sec-Butyl Sulfide
OR1077369Butyl Methyl Sulfide
OR1014307-01N-Butyl Sulfide
OR1028231-01Butyl Ethyl Sulfide
sc-279722N-Butyl ethyl sulfide
sc-279723N-Butyl methyl sulfide
sc-4867694-tert-Butyldiphenyl Sulfide
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