dichloro-imino-sulfanyl-λ5-phosphane

H2Cl2NPS — CID 57349147

IUPACdichloro-imino-sulfanyl-λ5-phosphane
SMILES[H]N=P(S)(Cl)Cl
InChIInChI=1S/Cl2H2NPS/c1-4(2,3)5/h(H2,3,5)
InChIKeyXISIDLHNBNNOMO-UHFFFAOYSA-N
MW149.97 g/mol
LogP2.92
Rot. Bonds

About dichloro-imino-sulfanyl-λ5-phosphane

dichloro-imino-sulfanyl-λ5-phosphane (PubChem CID 57349147) has the molecular formula H2Cl2NPS and a molecular weight of 149.97 g/mol. Its IUPAC name is dichloro-imino-sulfanyl-λ5-phosphane.

Molecular Properties

Compound Namedichloro-imino-sulfanyl-λ5-phosphane
PubChem CID57349147
Molecular FormulaH2Cl2NPS
Molecular Weight149.97 g/mol
Exact Mass148.90
IUPAC Namedichloro-imino-sulfanyl-λ5-phosphane
SMILES[H]N=P(S)(Cl)Cl
InChIInChI=1S/Cl2H2NPS/c1-4(2,3)5/h(H2,3,5)
InChIKeyXISIDLHNBNNOMO-UHFFFAOYSA-N
XLogP2.92
TPSA23.85 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.97
LogP ≤ 52.92
H-Bond Donors ≤ 52
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-imino-sulfanyl-λ5-phosphane?
The IUPAC name of dichloro-imino-sulfanyl-λ5-phosphane (CID 57349147) is dichloro-imino-sulfanyl-λ5-phosphane.
What is the SMILES notation for dichloro-imino-sulfanyl-λ5-phosphane?
The canonical SMILES for dichloro-imino-sulfanyl-λ5-phosphane is [H]N=P(S)(Cl)Cl.
What is the InChIKey of dichloro-imino-sulfanyl-λ5-phosphane?
The InChIKey is XISIDLHNBNNOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2H2NPS/c1-4(2,3)5/h(H2,3,5).
What are the key properties of dichloro-imino-sulfanyl-λ5-phosphane?
dichloro-imino-sulfanyl-λ5-phosphane has a molecular weight of 149.97 g/mol, XLogP of 2.92, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-imino-sulfanyl-λ5-phosphane is sourced from PubChem (CID 57349147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).