thiocarbonyl dichloride

CCl2S — CID 10040

IUPACthiocarbonyl dichloride
SMILESS=C(Cl)Cl
InChIInChI=1S/CCl2S/c2-1(3)4
InChIKeyZWZVWGITAAIFPS-UHFFFAOYSA-N
MW114.98 g/mol
LogP1.75
Rot. Bonds

About thiocarbonyl dichloride

thiocarbonyl dichloride (PubChem CID 10040) has the molecular formula CCl2S and a molecular weight of 114.98 g/mol. Its IUPAC name is thiocarbonyl dichloride.

Molecular Properties

Compound Namethiocarbonyl dichloride
PubChem CID10040
Molecular FormulaCCl2S
Molecular Weight114.98 g/mol
Exact Mass113.91
IUPAC Namethiocarbonyl dichloride
SMILESS=C(Cl)Cl
InChIInChI=1S/CCl2S/c2-1(3)4
InChIKeyZWZVWGITAAIFPS-UHFFFAOYSA-N
XLogP1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.98
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 thiocarbonyl dichloride?
The IUPAC name of thiocarbonyl dichloride (CID 10040) is thiocarbonyl dichloride.
What is the SMILES notation for thiocarbonyl dichloride?
The canonical SMILES for thiocarbonyl dichloride is S=C(Cl)Cl.
What is the InChIKey of thiocarbonyl dichloride?
The InChIKey is ZWZVWGITAAIFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/CCl2S/c2-1(3)4.
What are the key properties of thiocarbonyl dichloride?
thiocarbonyl dichloride has a molecular weight of 114.98 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiocarbonyl dichloride is sourced from PubChem (CID 10040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).