chloro-methyl-dimethylidene-λ6-sulfane

C3H7ClS — CID 88551469

IUPACchloro-methyl-dimethylidene-λ6-sulfane
SMILESC=S(=C)(C)Cl
InChIInChI=1S/C3H7ClS/c1-5(2,3)4/h1-2H2,3H3
InChIKeyDYYOMQLHCMIQBH-UHFFFAOYSA-N
MW110.61 g/mol
LogP1.44
Rot. Bonds

About chloro-methyl-dimethylidene-λ6-sulfane

chloro-methyl-dimethylidene-λ6-sulfane (PubChem CID 88551469) has the molecular formula C3H7ClS and a molecular weight of 110.61 g/mol. Its IUPAC name is chloro-methyl-dimethylidene-λ6-sulfane.

Molecular Properties

Compound Namechloro-methyl-dimethylidene-λ6-sulfane
PubChem CID88551469
Molecular FormulaC3H7ClS
Molecular Weight110.61 g/mol
Exact Mass110.00
IUPAC Namechloro-methyl-dimethylidene-λ6-sulfane
SMILESC=S(=C)(C)Cl
InChIInChI=1S/C3H7ClS/c1-5(2,3)4/h1-2H2,3H3
InChIKeyDYYOMQLHCMIQBH-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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 chloro-methyl-dimethylidene-λ6-sulfane?
The IUPAC name of chloro-methyl-dimethylidene-λ6-sulfane (CID 88551469) is chloro-methyl-dimethylidene-λ6-sulfane.
What is the SMILES notation for chloro-methyl-dimethylidene-λ6-sulfane?
The canonical SMILES for chloro-methyl-dimethylidene-λ6-sulfane is C=S(=C)(C)Cl.
What is the InChIKey of chloro-methyl-dimethylidene-λ6-sulfane?
The InChIKey is DYYOMQLHCMIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClS/c1-5(2,3)4/h1-2H2,3H3.
What are the key properties of chloro-methyl-dimethylidene-λ6-sulfane?
chloro-methyl-dimethylidene-λ6-sulfane has a molecular weight of 110.61 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-dimethylidene-λ6-sulfane is sourced from PubChem (CID 88551469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).