4,5-Dihydrothiophene, 3-methyl-
Basic information
- CAS
100182-47-6- Standard SMILES
CC1=CSCC1- InChIKey
FYECQQNUNHLGLS-UHFFFAOYSA-N- Molecular formula
- C5H8S
- Average molar mass
- 100.18 g/mol
- Monoisotopic mass
- 100.03467143
Names & identifiers
- Preferred name
- 4,5-Dihydrothiophene, 3-methyl-
- IUPAC
- 4-methyl-2,3-dihydrothiophene
- English name
- 4,5-Dihydrothiophene, 3-methyl-
- Molecular weight
- 0
Names & synonyms
4,5-Dihydrothiophene, 3-methyl-4-methyl-2,3-dihydrothiophene100182-47-63-Methyl-4,5-dihydrothiopheneSCHEMBL2574274-Methyl-2,3-dihydro-thiopheneDTXSID80142997
Database identifiers
- CAS
100182-47-6- PubChem CID
- 145361
- DTXSID
DTXSID80142997- Nikkaji
- J1.443.024E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 74
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Related reactions
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Compound notes
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