2-methyl-1,3,2-dithiaphosphinane

C4H9PS2 — CID 23414706

IUPAC2-methyl-1,3,2-dithiaphosphinane
SMILESCP1SCCCS1
InChIInChI=1S/C4H9PS2/c1-5-6-3-2-4-7-5/h2-4H2,1H3
InChIKeyVJTZHYOLFUSEPI-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.80
Rot. Bonds

About 2-methyl-1,3,2-dithiaphosphinane

2-methyl-1,3,2-dithiaphosphinane (PubChem CID 23414706) has the molecular formula C4H9PS2 and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-methyl-1,3,2-dithiaphosphinane.

Molecular Properties

Compound Name2-methyl-1,3,2-dithiaphosphinane
PubChem CID23414706
Molecular FormulaC4H9PS2
Molecular Weight152.22 g/mol
Exact Mass151.99
IUPAC Name2-methyl-1,3,2-dithiaphosphinane
SMILESCP1SCCCS1
InChIInChI=1S/C4H9PS2/c1-5-6-3-2-4-7-5/h2-4H2,1H3
InChIKeyVJTZHYOLFUSEPI-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,2-dithiaphosphinane?
The IUPAC name of 2-methyl-1,3,2-dithiaphosphinane (CID 23414706) is 2-methyl-1,3,2-dithiaphosphinane.
What is the SMILES notation for 2-methyl-1,3,2-dithiaphosphinane?
The canonical SMILES for 2-methyl-1,3,2-dithiaphosphinane is CP1SCCCS1.
What is the InChIKey of 2-methyl-1,3,2-dithiaphosphinane?
The InChIKey is VJTZHYOLFUSEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9PS2/c1-5-6-3-2-4-7-5/h2-4H2,1H3.
What are the key properties of 2-methyl-1,3,2-dithiaphosphinane?
2-methyl-1,3,2-dithiaphosphinane has a molecular weight of 152.22 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2-dithiaphosphinane is sourced from PubChem (CID 23414706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).