Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide

HCID 70941CAS 1193-10-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1=CCS(=O)(=O)C1
InChIKey
FAYFWMOSHFCQPG-UHFFFAOYSA-N
Molecular formula
C5H8O2S
Average molar mass
132.18 g/mol
Monoisotopic mass
132.0245005

Overview

3-Methyl sulfolene is an organosulfur heterocyclic compound.

Names & identifiers

Preferred name
Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide
IUPAC
3-methyl-2,5-dihydrothiophene 1,1-dioxide
English name
3-Methyl-2,5-dihydrothiophene-1,1-dioxide
Molecular formula
C5H8O2S
Molecular weight
132.18

Names & synonyms

1193-10-83-Methylsulfolene3-Methyl-3-sulfoleneThiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide3-Methyl-2,5-dihydrothiophene dioxide1,3-Butadiene, 2-methyl-, sulfoneNSC 15090AI3-23650EINECS 214-765-5DTXSID4061597RefChem:897886DTXCID7033498
Show more names
ISOPRENE SULFONEAKOS BBS-000048522,5-Dihydro-3-methylthiophene1,1-dioxide3-methyl-2,5-dihydrothiophen-1,1-dioxide3-Methyl-2,4-dihydrothiophene 1,1-dioxide
InChI=1/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3-Methyl-2,5-dihydrothiophene 1,1-dioxide3-METHYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE3-methyl sulfoleneMFCD00005482ISOPRENE CYCLIC SULFONENSC-150902,5-Dihydro-3-methyl-thiophene 1,1-dioxide

Database identifiers

CAS
1193-10-8
PubChem CID
70941
DTXSID
DTXSID4061597
ChEBI
CHEBI:89440
UNII
ND7G34ZF4C
EC Number
214-765-5

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure
Physical DescriptionSolid

Physicochemical properties

Melting point
62 · 62-64°C
Boiling point
214.11 °C · 214.11°C (rough estimate)
Density
1.137 · 1.137 (estimate)
refractive index
1.516 · 1.5160 (estimate)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationThiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide: ACTIVE

Applications

Uses3-Methyl-2,5-dihydrothiophene-1,1-dioxide is a reagent used in Diels-Alder reactions of butadienylpyridinium bromides.

UsesChemical intermediate, catalyst.

Upstream & downstream products

Suppliers22 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

Additional notes

DefinitionChEBI: 3-Methyl sulfolene is an organosulfur heterocyclic compound.

Related reactions

2 records
New reaction record

Linked notes

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