chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane

C10H17ClS — CID 130394359

IUPACchloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane
SMILESC=C(C#CC)C(C)(C)S(C)(C)Cl
InChIInChI=1S/C10H17ClS/c1-7-8-9(2)10(3,4)12(5,6)11/h2H2,1,3-6H3
InChIKeyZIQDSIYRBMWCIN-UHFFFAOYSA-N
MW204.77 g/mol
LogP3.56
Rot. Bonds2

About chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane

chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane (PubChem CID 130394359) has the molecular formula C10H17ClS and a molecular weight of 204.77 g/mol. Its IUPAC name is chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane.

Molecular Properties

Compound Namechloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane
PubChem CID130394359
Molecular FormulaC10H17ClS
Molecular Weight204.77 g/mol
Exact Mass204.07
IUPAC Namechloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane
SMILESC=C(C#CC)C(C)(C)S(C)(C)Cl
InChIInChI=1S/C10H17ClS/c1-7-8-9(2)10(3,4)12(5,6)11/h2H2,1,3-6H3
InChIKeyZIQDSIYRBMWCIN-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane?
The IUPAC name of chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane (CID 130394359) is chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane.
What is the SMILES notation for chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane?
The canonical SMILES for chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane is C=C(C#CC)C(C)(C)S(C)(C)Cl.
What is the InChIKey of chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane?
The InChIKey is ZIQDSIYRBMWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClS/c1-7-8-9(2)10(3,4)12(5,6)11/h2H2,1,3-6H3.
What are the key properties of chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane?
chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane has a molecular weight of 204.77 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(2-methyl-3-methylidenehex-4-yn-2-yl)-λ4-sulfane is sourced from PubChem (CID 130394359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).