dichloro-sulfanyl-sulfanylidene-λ5-phosphane

HCl2PS2 — CID 11080841

IUPACdichloro-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(Cl)Cl
InChIInChI=1S/Cl2HPS2/c1-3(2,4)5/h(H,4,5)
InChIKeyMLCJVHOAESHKAO-UHFFFAOYSA-N
MW167.02 g/mol
LogP2.62
Rot. Bonds

About dichloro-sulfanyl-sulfanylidene-λ5-phosphane

dichloro-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 11080841) has the molecular formula HCl2PS2 and a molecular weight of 167.02 g/mol. Its IUPAC name is dichloro-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedichloro-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID11080841
Molecular FormulaHCl2PS2
Molecular Weight167.02 g/mol
Exact Mass165.86
IUPAC Namedichloro-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(Cl)Cl
InChIInChI=1S/Cl2HPS2/c1-3(2,4)5/h(H,4,5)
InChIKeyMLCJVHOAESHKAO-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.02
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichloro-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of dichloro-sulfanyl-sulfanylidene-λ5-phosphane (CID 11080841) is dichloro-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dichloro-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for dichloro-sulfanyl-sulfanylidene-λ5-phosphane is S=P(S)(Cl)Cl.
What is the InChIKey of dichloro-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is MLCJVHOAESHKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2HPS2/c1-3(2,4)5/h(H,4,5).
What are the key properties of dichloro-sulfanyl-sulfanylidene-λ5-phosphane?
dichloro-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 167.02 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11080841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).