di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane

C6H14O2PS2- — CID 1378709

IUPACdi(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane
SMILESCC(C)OP(=S)([S-])OC(C)C
InChIInChI=1S/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11)/p-1
InChIKeySZXCCXFNQHQRGF-UHFFFAOYSA-M
MW213.28 g/mol
LogP2.61
Rot. Bonds4

About di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane

di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane (PubChem CID 1378709) has the molecular formula C6H14O2PS2- and a molecular weight of 213.28 g/mol. Its IUPAC name is di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane.

Molecular Properties

Compound Namedi(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane
PubChem CID1378709
Molecular FormulaC6H14O2PS2-
Molecular Weight213.28 g/mol
Exact Mass213.02
IUPAC Namedi(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane
SMILESCC(C)OP(=S)([S-])OC(C)C
InChIInChI=1S/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11)/p-1
InChIKeySZXCCXFNQHQRGF-UHFFFAOYSA-M
XLogP2.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane?
The IUPAC name of di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane (CID 1378709) is di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane.
What is the SMILES notation for di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane?
The canonical SMILES for di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane is CC(C)OP(=S)([S-])OC(C)C.
What is the InChIKey of di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane?
The InChIKey is SZXCCXFNQHQRGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O2PS2/c1-5(2)7-9(10,11)8-6(3)4/h5-6H,1-4H3,(H,10,11)/p-1.
What are the key properties of di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane?
di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane has a molecular weight of 213.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane is sourced from PubChem (CID 1378709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).