chloromethylidene(dimethyl)-λ4-sulfane

C3H7ClS — CID 134917812

IUPACchloromethylidene(dimethyl)-λ4-sulfane
SMILESCS(C)=CCl
InChIInChI=1S/C3H7ClS/c1-5(2)3-4/h3H,1-2H3
InChIKeySARDEBMJNSPGNL-UHFFFAOYSA-N
MW110.61 g/mol
LogP1.51
Rot. Bonds

About chloromethylidene(dimethyl)-λ4-sulfane

chloromethylidene(dimethyl)-λ4-sulfane (PubChem CID 134917812) has the molecular formula C3H7ClS and a molecular weight of 110.61 g/mol. Its IUPAC name is chloromethylidene(dimethyl)-λ4-sulfane.

Molecular Properties

Compound Namechloromethylidene(dimethyl)-λ4-sulfane
PubChem CID134917812
Molecular FormulaC3H7ClS
Molecular Weight110.61 g/mol
Exact Mass110.00
IUPAC Namechloromethylidene(dimethyl)-λ4-sulfane
SMILESCS(C)=CCl
InChIInChI=1S/C3H7ClS/c1-5(2)3-4/h3H,1-2H3
InChIKeySARDEBMJNSPGNL-UHFFFAOYSA-N
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.61
LogP ≤ 51.51
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 chloromethylidene(dimethyl)-λ4-sulfane?
The IUPAC name of chloromethylidene(dimethyl)-λ4-sulfane (CID 134917812) is chloromethylidene(dimethyl)-λ4-sulfane.
What is the SMILES notation for chloromethylidene(dimethyl)-λ4-sulfane?
The canonical SMILES for chloromethylidene(dimethyl)-λ4-sulfane is CS(C)=CCl.
What is the InChIKey of chloromethylidene(dimethyl)-λ4-sulfane?
The InChIKey is SARDEBMJNSPGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClS/c1-5(2)3-4/h3H,1-2H3.
What are the key properties of chloromethylidene(dimethyl)-λ4-sulfane?
chloromethylidene(dimethyl)-λ4-sulfane has a molecular weight of 110.61 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylidene(dimethyl)-λ4-sulfane is sourced from PubChem (CID 134917812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).