2,6-dimethyl-3,5-dimethylidenethiane

C9H14S — CID 146264952

IUPAC2,6-dimethyl-3,5-dimethylidenethiane
SMILESC=C1CC(=C)C(C)SC1C
InChIInChI=1S/C9H14S/c1-6-5-7(2)9(4)10-8(6)3/h8-9H,1-2,5H2,3-4H3
InChIKeyQNGUPRWXFGCSLS-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.01
Rot. Bonds

About 2,6-dimethyl-3,5-dimethylidenethiane

2,6-dimethyl-3,5-dimethylidenethiane (PubChem CID 146264952) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2,6-dimethyl-3,5-dimethylidenethiane.

Molecular Properties

Compound Name2,6-dimethyl-3,5-dimethylidenethiane
PubChem CID146264952
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2,6-dimethyl-3,5-dimethylidenethiane
SMILESC=C1CC(=C)C(C)SC1C
InChIInChI=1S/C9H14S/c1-6-5-7(2)9(4)10-8(6)3/h8-9H,1-2,5H2,3-4H3
InChIKeyQNGUPRWXFGCSLS-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-3,5-dimethylidenethiane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-methylidenecyclobutane
CID 20800914
1,2-dimethyl-3-methylidenecyclopentane
CID 529615
(2S)-3-ethenylidene-2-methylthiolane
CID 129191537
2-methyl-1,4-dimethylidenecyclohexane
CID 123618571
1,2,3-trimethyl-4-methylidenecyclohexane
CID 123416600
2-methyl-3-methylidenecyclopentan-1-one
CID 58905861
1,2-dimethyl-3-methylidenecyclohexane
CID 54109337
(3Z)-3-ethylidene-2-methylthiolane
CID 88988819
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
trans-(1S,5S)-5-methyl-2-methylidenecyclohexan-1-amine
CID 89221861
2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene
CID 123885670
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,5-dimethylidenethiane?
The IUPAC name of 2,6-dimethyl-3,5-dimethylidenethiane (CID 146264952) is 2,6-dimethyl-3,5-dimethylidenethiane.
What is the SMILES notation for 2,6-dimethyl-3,5-dimethylidenethiane?
The canonical SMILES for 2,6-dimethyl-3,5-dimethylidenethiane is C=C1CC(=C)C(C)SC1C.
What is the InChIKey of 2,6-dimethyl-3,5-dimethylidenethiane?
The InChIKey is QNGUPRWXFGCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-6-5-7(2)9(4)10-8(6)3/h8-9H,1-2,5H2,3-4H3.
What are the key properties of 2,6-dimethyl-3,5-dimethylidenethiane?
2,6-dimethyl-3,5-dimethylidenethiane has a molecular weight of 154.28 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,5-dimethylidenethiane is sourced from PubChem (CID 146264952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).