3-Methyl sulfolene (Q27161636)

3-Methylsulfolene (English)

9 October 2016

chemical formula

C₅H₈O₂S

1 reference

3-Methylsulfolene (English)

9 October 2016

canonical SMILES

CC1=CCS(=O)(=O)C1

1 reference

3-Methylsulfolene (English)

Jean-Claude Bradley Open Melting Point Dataset

9 October 2016

melting point

63.0 degree Celsius

1 reference

stated in

Identifiers

InChI

InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3

1 reference

3-Methylsulfolene (English)

9 October 2016

2 references

3-Methylsulfolene (English)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

1193-10-8

1 reference

https://commonchemistry.cas.org/detail?cas_rn=1193-10-8

10 April 2021

1 reference

3-Methylsulfolene (English)

9 October 2016

2 references

3-Methylsulfolene (English)

9 October 2016

ChEBI ID

89440

mapping relation type

2 references

3-Methyl sulfolene (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3

1 reference

NMRShiftDB structure ID

30102163

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTox substance ID

DTXSID4061597

2 references

stated in

DSSTOX compound identifier

DTXCID7033498

0 references

NSC number

15090

0 references

Human Metabolome Database ID

HMDB0059667

2 references

based on heuristic

inferred from InChIKey

UNII

ND7G34ZF4C

1 reference