chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane

C2H6ClPS — CID 134885638

IUPACchloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane
SMILES[2H]C([2H])([2H])P(C)(=S)Cl
InChIInChI=1S/C2H6ClPS/c1-4(2,3)5/h1-2H3/i1D3
InChIKeyUGOLAPHJCTVIEW-FIBGUPNXSA-N
MW131.58 g/mol
LogP1.88
Rot. Bonds1

About chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane

chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane (PubChem CID 134885638) has the molecular formula C2H6ClPS and a molecular weight of 131.58 g/mol. Its IUPAC name is chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane.

Molecular Properties

Compound Namechloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane
PubChem CID134885638
Molecular FormulaC2H6ClPS
Molecular Weight131.58 g/mol
Exact Mass130.98
IUPAC Namechloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane
SMILES[2H]C([2H])([2H])P(C)(=S)Cl
InChIInChI=1S/C2H6ClPS/c1-4(2,3)5/h1-2H3/i1D3
InChIKeyUGOLAPHJCTVIEW-FIBGUPNXSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.58
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane?
The IUPAC name of chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane (CID 134885638) is chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane.
What is the SMILES notation for chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane?
The canonical SMILES for chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane is [2H]C([2H])([2H])P(C)(=S)Cl.
What is the InChIKey of chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane?
The InChIKey is UGOLAPHJCTVIEW-FIBGUPNXSA-N. The full InChI is InChI=1S/C2H6ClPS/c1-4(2,3)5/h1-2H3/i1D3.
What are the key properties of chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane?
chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane has a molecular weight of 131.58 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-sulfanylidene-(trideuteriomethyl)-λ5-phosphane is sourced from PubChem (CID 134885638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).