ChemicalBook--->CAS DataBase List--->1613-51-0

1613-51-0

1613-51-0 Structure

1613-51-0 Structure
IdentificationMore
[Name]

Thiane
[CAS]

1613-51-0
[Synonyms]

PENTAMETHYLENE SULFIDE
PENTAMETHYLENE SULPHIDE
TETRAHYDROTHIOPYRAN
THIACYCLOHEXANE
2H-Thiopyran,tetrahydro-
Penthiophane
Tetrahydro-2H-thiopyran
Tetrahydrothiapyran
Thian
Thiane
Tetrahydrothiopyran~Thiane
PENTAMETHYLENE SULFIDE 99%
[EINECS(EC#)]

216-561-1
[Molecular Formula]

C5H10S
[MDL Number]

MFCD00006662
[Molecular Weight]

102.2
[MOL File]

1613-51-0.mol
Chemical PropertiesBack Directory
[Melting point ]

18.99°C
[Boiling point ]

140-142°C
[density ]

0,988 g/cm3
[refractive index ]

1.5060
[Fp ]

21°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

liquid
[color ]

White or Colorless to Light yellow
[Specific Gravity]

0.985
[Water Solubility ]

Not miscible or difficult to mix in water.
[BRN ]

102437
[Dielectric constant]

6.5800000000000001
[Stability:]

Volatile
[LogP]

2.137 (est)
[CAS DataBase Reference]

1613-51-0(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-Thiopyran, tetrahydro-(1613-51-0)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

1993
[HS Code ]

2934.99.9001
[HazardClass ]

3
[PackingGroup ]

II
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl sulfoxide-->Sodium sulfide-->1,5-Dibromopentane-->Phosphoric acid, dimethyl ester, potassium salt (9CI)-->1,2-Dithiepane-->4-Methyl-N-(thian-1-ylidene)benzenesulfonamide-->1-Pentanol, 5-mercapto--->1-Butene, 4-(methylthio)--->1-Pentanethiol, 5-bromo--->1-pentylpiperidine-->Tetrahydrothiopyran-4-one-->5-CHLOROPENTYL ACETATE-->2-METHYLTETRAHYDROTHIOPHENE-->Pentamethylene-->3-Methylthiolane-->1,5-Pentanedithiol
Hazard InformationBack Directory
[Uses]

It is a useful 5 c synthon for the synthesis of 3-cyclopentenones. It is a organic sulfide, that has shown to have antioxidant activity.
[Synthesis Reference(s)]

Synthesis, p. 540, 1978 DOI: 10.1055/s-1978-24806
Spectrum DetailBack Directory
[Spectrum Detail]

Thiane(1613-51-0)MS
Thiane(1613-51-0)1HNMR
Thiane(1613-51-0)13CNMR
Thiane(1613-51-0)IR1
Thiane(1613-51-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Tetrahydrothiopyran, 98%(1613-51-0)
[Sigma Aldrich]

1613-51-0(sigmaaldrich)
[TCI AMERICA]

Pentamethylene Sulfide,>98.0%(GC)(1613-51-0)
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