4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene

C8H14S — CID 89005498

IUPAC4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene
SMILESC=S1(=C)CCC(C)=C1C
InChIInChI=1S/C8H14S/c1-7-5-6-9(3,4)8(7)2/h3-6H2,1-2H3
InChIKeyLWBSDFKRPLUISI-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.35
Rot. Bonds

About 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene

4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene (PubChem CID 89005498) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene.

Molecular Properties

Compound Name4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene
PubChem CID89005498
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene
SMILESC=S1(=C)CCC(C)=C1C
InChIInChI=1S/C8H14S/c1-7-5-6-9(3,4)8(7)2/h3-6H2,1-2H3
InChIKeyLWBSDFKRPLUISI-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene?
The IUPAC name of 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene (CID 89005498) is 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene.
What is the SMILES notation for 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene?
The canonical SMILES for 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene is C=S1(=C)CCC(C)=C1C.
What is the InChIKey of 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene?
The InChIKey is LWBSDFKRPLUISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-7-5-6-9(3,4)8(7)2/h3-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene?
4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,1-dimethylidene-2,3-dihydrothiophene is sourced from PubChem (CID 89005498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).