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N-Butyl methyl sulfide 98%

CAT: 0286-B30050-01Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-B30050-01Size:5 g
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CAS Number
628-29-5
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00015256
Hazard Statement
H225 Highly 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.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Flammable Liquids, N.O.S.
DOT Classification
Class 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; 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

Butyl methyl sulfide

1-(methylthio)-Butane is an aliphatic sulfide.

CAS Number628-29-5
PubChem CID12339
IUPAC Name1-methylsulfanylbutane
Molecular FormulaC5H12S
Molecular Weight104.22
XLogP2.1
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity19
SMILES
CCCCSC
InChI
InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3
InChIKey
WCXXISMIJBRDQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl methyl sulfide
CAS: 628-29-5
CID: 12339
Formula: C5H12S
MW: 104.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.22
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass104.06597156
Monoisotopic Mass104.06597156
Topological Polar Surface Area25.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity19.9
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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