dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane

C12H22O2PS2- — CID 1415318

IUPACdicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane
SMILESS=P([S-])(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H23O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17)/p-1
InChIKeyIWHTZOQGVGHYQT-UHFFFAOYSA-M
MW293.41 g/mol
LogP4.46
Rot. Bonds4

About dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane

dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane (PubChem CID 1415318) has the molecular formula C12H22O2PS2- and a molecular weight of 293.41 g/mol. Its IUPAC name is dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane.

Molecular Properties

Compound Namedicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane
PubChem CID1415318
Molecular FormulaC12H22O2PS2-
Molecular Weight293.41 g/mol
Exact Mass293.08
IUPAC Namedicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane
SMILESS=P([S-])(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H23O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17)/p-1
InChIKeyIWHTZOQGVGHYQT-UHFFFAOYSA-M
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.46
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 dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane?
The IUPAC name of dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane (CID 1415318) is dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane.
What is the SMILES notation for dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane?
The canonical SMILES for dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane is S=P([S-])(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane?
The InChIKey is IWHTZOQGVGHYQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23O2PS2/c16-15(17,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,17)/p-1.
What are the key properties of dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane?
dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane has a molecular weight of 293.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane is sourced from PubChem (CID 1415318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).