(13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane

C11H24P2S4 — CID 54358610

IUPAC(13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane
SMILESCC1CSCCSCC(PP)CSCCSC1
InChIInChI=1S/C11H24P2S4/c1-10-6-14-2-4-16-8-11(13-12)9-17-5-3-15-7-10/h10-11,13H,2-9,12H2,1H3
InChIKeyUKWRGRMSCJMEDW-UHFFFAOYSA-N
MW346.53 g/mol
LogP4.41
Rot. Bonds1

About (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane

(13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane (PubChem CID 54358610) has the molecular formula C11H24P2S4 and a molecular weight of 346.53 g/mol. Its IUPAC name is (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane.

Molecular Properties

Compound Name(13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane
PubChem CID54358610
Molecular FormulaC11H24P2S4
Molecular Weight346.53 g/mol
Exact Mass346.02
IUPAC Name(13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane
SMILESCC1CSCCSCC(PP)CSCCSC1
InChIInChI=1S/C11H24P2S4/c1-10-6-14-2-4-16-8-11(13-12)9-17-5-3-15-7-10/h10-11,13H,2-9,12H2,1H3
InChIKeyUKWRGRMSCJMEDW-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane?
The IUPAC name of (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane (CID 54358610) is (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane.
What is the SMILES notation for (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane?
The canonical SMILES for (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane is CC1CSCCSCC(PP)CSCCSC1.
What is the InChIKey of (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane?
The InChIKey is UKWRGRMSCJMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24P2S4/c1-10-6-14-2-4-16-8-11(13-12)9-17-5-3-15-7-10/h10-11,13H,2-9,12H2,1H3.
What are the key properties of (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane?
(13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane has a molecular weight of 346.53 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13-methyl-1,4,8,11-tetrathiacyclotetradec-6-yl)-phosphanylphosphane is sourced from PubChem (CID 54358610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).