3-Methyl-2-buten-1-thiol supplier

Name
3-Methyl-2-buten-1-thiol
EINECS
CAS No. 5287-45-6
Article Data7
CAS DataBase
Density 0.862 g/cm³
Solubility
Melting Point
Formula C₅H₁₀S
Boiling Point 126.1 °C at 760mmHg
Molecular Weight 102.2
Flash Point 45.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Prenyl mercaptan;3-Methyl-2-buten-1-thiol;UNII-FDG262156U;2-Butene-1-thiol, 3-methyl-;
PSA 38.80000
LogP 1.88240

Synthetic route

: 17356-08-0
thiourea

: 870-63-3
prenyl bromide

: 5287-45-6
prenyl mercaptan

Conditions

Conditions	Yield
In ethanol at 80℃; for 3h;	83%

: 616-44-4
3-Methylthiophene

: 5287-45-6
prenyl mercaptan

Conditions

Conditions	Yield
With methanol; ammonia; sodium

: 513-35-9
2-methyl-but-2-ene

: 5287-45-6
prenyl mercaptan

Conditions

Conditions	Yield
With sulfur at 170℃;

: 594-07-0
dithiocarbamic acid

: 870-63-3
prenyl bromide

: 5287-45-6
prenyl mercaptan

Conditions

Conditions	Yield
With ammonia beim Erwaermen des Reaktionsprodukts mit Alkalilauge;

: 78-79-5
isoprene

: 5287-45-6
prenyl mercaptan

Conditions

Conditions	Yield
(i) thiourea, aq. HBr, (ii) aq. TsOH, (iii) aq. NaOH; Multistep reaction;

: S-methyl S-<1-(3-methyl-2-butenyl)>dithiocarbonate

: 5287-45-6
prenyl mercaptan

Conditions

Conditions	Yield
With potassium hydroxide In 1,4-dioxane for 2h; Heating;

: 513-35-9
2-methyl-but-2-ene

sulfur: sulfur

: 5287-45-6
prenyl mercaptan

Conditions

Conditions	Yield
at 170℃; bei laengerer Reaktionsdauer;

: 5287-45-6
prenyl mercaptan

: 763-16-6
3,3,3-trichloro-1-nitropropene

: (3-methylbut-2-enyl)(1,1,1-trichloro-3-nitropropan-2yl)sulfane

Conditions

Conditions	Yield
With triethylamine In tert-butyl alcohol at 25 - 30℃; for 6h;	84%

: 5287-45-6
prenyl mercaptan

: 1552-26-7
5,5,5-trichloro-pent-3-en-2-one

: 5,5,5-trichloro-4-(3-methylbut-2-enylthio)pentan-2-one

Conditions

Conditions	Yield
With triethylamine In tert-butyl alcohol at 25 - 30℃; for 8h;	82%

: 5287-45-6
prenyl mercaptan

: 14252-04-1
4,4,4-trichloro-crotononitrile

: 4,4,4-trichloro-3-(3-methylbut-2-enylthio)butanenitrile

Conditions

Conditions	Yield
With triethylamine In tert-butyl alcohol at 25 - 30℃; for 12h;	81%

: 5287-45-6
prenyl mercaptan

: 21100-66-3
4,4,4-trichloro-1-phenyl-but-2-en-1-one

: 4,4,4-trichloro-3-(3-methylbut-2-enylthio)-1-phenylbutan-1-one

Conditions

Conditions	Yield
With triethylamine In tert-butyl alcohol at 25 - 30℃; for 8h;	80%

: 5287-45-6
prenyl mercaptan

: 536-74-3
phenylacetylene

: 112471-59-7
3-Isopropyl-4-phenyl-2,3-dihydro-thiophene

Conditions

Conditions	Yield
With triethyl borane In hexane; benzene	77%

: 5287-45-6
prenyl mercaptan

: C5H5Cl3O2

: methyl 4,4,4-trichloro-3-(3-methylbut-2-enylthio)butanoate

Conditions

Conditions	Yield
With triethylamine In tert-butyl alcohol at 25 - 30℃; for 8h;	68%

: 5287-45-6
prenyl mercaptan

: 541-41-3
chloroformic acid ethyl ester

: C8H14O2S

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at -1 - 20℃; for 1h; Inert atmosphere;	66%

: 5287-45-6
prenyl mercaptan

: 106040-12-4
3-(ethoxycarbonyl)-4a-acetoxy-4,4a,9,9a-tetrahydro-1,2-oxazino<5,6-b>indole

: 106040-09-9
ethyl α-(hydroxyimino)-β-<2-((3-methyl-2-butenyl)thio)indol-3-yl>propanoate

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 0℃; for 3h;	64%

: 5287-45-6
prenyl mercaptan

: 103-71-9
phenyl isocyanate

: S-(3-methylbut-2-en-1-yl) phenylcarbamothioate

Conditions

Conditions	Yield
Stage #1: prenyl mercaptan With potassium hydride In tetrahydrofuran at 0 - 20℃; for 0.5h; Glovebox; Stage #2: phenyl isocyanate In tetrahydrofuran for 6h; Glovebox;	44%

: 5287-45-6
prenyl mercaptan

: 170716-51-5
β-3,4-epithiocarane

A: 4α-prenylthiocarane-3β-thiol

B: C30H50S4

Conditions

Conditions	Yield
With sodium ethanolate for 15h; Ambient temperature;	A 42% B 36%

...Expand

: 5287-45-6
prenyl mercaptan

: 765-03-7
1-dodecyne

: 112471-58-6
4-Decyl-3-isopropyl-2,3-dihydro-thiophene

Conditions

Conditions	Yield
With triethyl borane In hexane; benzene	35%

: 5287-45-6
prenyl mercaptan

: 5287-48-9
(2,4-dinitro-phenyl)-(3-methyl-but-2-enyl)-sulfide

: 5287-45-6
prenyl mercaptan

: 98-88-4
benzoyl chloride

: S-(3-methylbut-2-en-1-yl)benzothioate

Conditions

Conditions	Yield
With sodium hydroxide

: 110-81-6
Diethyl disulfide

: 5287-45-6
prenyl mercaptan

: 10276-12-7
ethyl-(3-methyl-but-2-enyl)-disulfane

: 5287-45-6
prenyl mercaptan

: 55048-60-7
S-methylsulfenyl O-methyl thiocarbonate

: 34776-60-8
methyl-(3-methyl-but-2-enyl)-disulfane

: 5287-45-6
prenyl mercaptan

: 24963-39-1
bis(3-methyl-2-buten-1-yl)disulfide

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide

: 5287-45-6
prenyl mercaptan

: 29178-27-6
3-methyl-2-(3-methyl-but-2-enylsulfanyl)-butane-1-thiol

Conditions

Conditions	Yield
In hexane Irradiation;

: 5287-45-6
prenyl mercaptan

: 535-11-5, 41978-69-2
Ethyl 2-bromopropionate

: 61740-72-5
α-Carbethoxyethyl 3-Methyl-2-butenylsulfid

Conditions

Conditions	Yield
With sodium ethanolate In ethanol

: 5287-45-6
prenyl mercaptan

: syn-3-(benzyloxy)-3-phenyl-1-(tributylstannyl)-1-propanol

: 1-(benzyloxy)-4,4-dimethyl-1-phenyl-5-hexane-3-thiol

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 5287-45-6
prenyl mercaptan

: 75-87-6
chloral

: 85022-07-7
3-Methyl-1-(1,2,2,2-tetrachloro-ethylsulfanyl)-but-2-ene

: 5287-45-6
prenyl mercaptan

: 75-36-5
acetyl chloride

: 33049-93-3
ethanethioic acid S-(3-methyl-2-butenyl) ester

Conditions

Conditions	Yield
In pyridine	1.0 g

: 5287-45-6
prenyl mercaptan

: 108-12-3
isopentanoyl chloride

: 75631-91-3
S-(3-methylbut-2-en-1-yl) 3-methylbutanethioate

Conditions

Conditions	Yield
In pyridine	1.7 g

: 5287-45-6
prenyl mercaptan

: 2344-80-1
Chloromethyltrimethylsilane

: 151108-99-5
3-methyl-1-trimethylsilylmethylthio-2-butene

Conditions

Conditions	Yield
With n-butyllithium 1) HMPA, ether, 0 deg C; Yield given. Multistep reaction;

3-Methyl-2-buten-1-thiol Chemical Properties

Molecular Structure of 3-Methyl-2-buten-1-thiol (CAS NO.5287-45-6):

IUPAC Name: 3-Methylbut-2-ene-1-thiol
Canonical SMILES: CC(=CCS)C
InChI: InChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
InChIKey: GYDPOKGOQFTYGW-UHFFFAOYSA-N
Molecular Weight: 102.1979 [g/mol]
Molecular Formula: C₅H₁₀S
XLogP3-AA: 2
H-Bond Donor: 0
H-Bond Acceptor: 0
FEMA: 3896
storage temp.: Freezer
Index of Refraction: 1.468
Molar Refractivity: 33.01 cm³
Molar Volume: 118.5 cm³
Surface Tension: 25.4 dyne/cm
Density: 0.862 g/cm³
Flash Point: 45.7 °C
Enthalpy of Vaporization: 34.89 kJ/mol
Boiling Point: 126.1 °C at 760 mmHg
Vapour Pressure: 14.4 mmHg at 25 °C
Appearance: Yellow Liquid
Product Categories: Metal Isotopes; thiol Flavor; Sulfur & Selenium Compounds

3-Methyl-2-buten-1-thiol Uses

3-Methyl-2-buten-1-thiol (CAS NO.5287-45-6) is used as important compounds in coffee aroma.

3-Methyl-2-buten-1-thiol Specification

3-Methyl-2-buten-1-thiol (CAS NO.5287-45-6), its Synonyms are Prenyl mercaptan ; 3-Methyl-2-buten-1-thiol ; MBT ; 2-Butene-1-thiol, 3-methyl- ; 3-Methyl-1-mercapto-2-butene .

Product Name

3-Methyl-2-buten-1-thiol

Synthetic route

3-Methyl-2-buten-1-thiol Chemical Properties

3-Methyl-2-buten-1-thiol Uses

3-Methyl-2-buten-1-thiol Specification

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