chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane

C7H15ClS — CID 134534994

IUPACchloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane
SMILESCC(C)=CCS(C)(C)Cl
InChIInChI=1S/C7H15ClS/c1-7(2)5-6-9(3,4)8/h5H,6H2,1-4H3
InChIKeyOAHUCVASATZCPT-UHFFFAOYSA-N
MW166.72 g/mol
LogP3.17
Rot. Bonds2

About chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane

chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane (PubChem CID 134534994) has the molecular formula C7H15ClS and a molecular weight of 166.72 g/mol. Its IUPAC name is chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane.

Molecular Properties

Compound Namechloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane
PubChem CID134534994
Molecular FormulaC7H15ClS
Molecular Weight166.72 g/mol
Exact Mass166.06
IUPAC Namechloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane
SMILESCC(C)=CCS(C)(C)Cl
InChIInChI=1S/C7H15ClS/c1-7(2)5-6-9(3,4)8/h5H,6H2,1-4H3
InChIKeyOAHUCVASATZCPT-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.72
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane?
The IUPAC name of chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane (CID 134534994) is chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane.
What is the SMILES notation for chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane?
The canonical SMILES for chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane is CC(C)=CCS(C)(C)Cl.
What is the InChIKey of chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane?
The InChIKey is OAHUCVASATZCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClS/c1-7(2)5-6-9(3,4)8/h5H,6H2,1-4H3.
What are the key properties of chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane?
chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane has a molecular weight of 166.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(3-methylbut-2-enyl)-λ4-sulfane is sourced from PubChem (CID 134534994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).