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287-27-4

287-27-4 Structure

287-27-4 Structure
IdentificationMore
[Name]

TRIMETHYLENE SULFIDE
[CAS]

287-27-4
[Synonyms]

THIACYCLOBUTAN
THIETANE
TRIMETHYLENE SULFIDE
TRIMETHYLENE SULPHIDE
1,3-Epithiopropan
Propane, 1,3-epithio-
propane,1,3-epithio-
Thiacyclobutane
Thietan
Trimethylensulfid
[EINECS(EC#)]

206-015-0
[Molecular Formula]

C3H6S
[MDL Number]

MFCD00042751
[Molecular Weight]

74.14
[MOL File]

287-27-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

-73.24°C
[Boiling point ]

94-94.5 °C (lit.)
[density ]

1.028 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.510(lit.)
[Fp ]

27 °F
[form ]

liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.028
[BRN ]

102383
[InChI]

InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2
[InChIKey]

XSROQCDVUIHRSI-UHFFFAOYSA-N
[SMILES]

S1CCC1
[LogP]

1.083 (est)
[CAS DataBase Reference]

287-27-4(CAS DataBase Reference)
[EPA Substance Registry System]

Thietane (287-27-4)
Safety DataBack Directory
[Hazard Codes ]

F,Xn
[Risk Statements ]

R11:Highly Flammable.
R22:Harmful if swallowed.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2934.99.9001
[HazardClass ]

3.1
[PackingGroup ]

II
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Flam. Liq. 2
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Definition]

ChEBI: An organosulfur heterocyclic compound containing a saturated four membered ring with 3 carbon atom and 1 sulfur atom.
[Purification Methods]

Purify thietane by preparative gas chromatography on a dinonyl phthalate column. It has also been purified by drying over anhydrous K2CO3, and distilling through a 25cm glass helices-packed column (for 14g of thietane), then drying over CaSO4 before sealing it in a vacuum. [Haines et al. J Phys Chem 58 270 1954.] It is characterised as the dimethylsulfonium iodide m 97-98o [Bennett & Hock J Chem Soc 2496 1927]. The S-oxide has b 102o/25mm, n D 1.5075 [Tamres & Searles J Am Chem Soc 81 2100 1959]. [Beilstein 17 I 3, 17 II 12, 17 III/IV 14, 17/1 V 14.]
Spectrum DetailBack Directory
[Spectrum Detail]

TRIMETHYLENE SULFIDE(287-27-4)MS
TRIMETHYLENE SULFIDE(287-27-4)1HNMR
TRIMETHYLENE SULFIDE(287-27-4)13CNMR
TRIMETHYLENE SULFIDE(287-27-4)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

287-27-4(sigmaaldrich)
[TCI AMERICA]

Trimethylene Sulfide,>98.0%(GC)(287-27-4)
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