ethyl-bis(ethylsulfanyl)phosphane

C6H15PS2 — CID 2785268

IUPACethyl-bis(ethylsulfanyl)phosphane
SMILESCCSP(CC)SCC
InChIInChI=1S/C6H15PS2/c1-4-7(8-5-2)9-6-3/h4-6H2,1-3H3
InChIKeyTWCXHWNIOPGHAD-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.82
Rot. Bonds5

About ethyl-bis(ethylsulfanyl)phosphane

ethyl-bis(ethylsulfanyl)phosphane (PubChem CID 2785268) has the molecular formula C6H15PS2 and a molecular weight of 182.29 g/mol. Its IUPAC name is ethyl-bis(ethylsulfanyl)phosphane.

Molecular Properties

Compound Nameethyl-bis(ethylsulfanyl)phosphane
PubChem CID2785268
Molecular FormulaC6H15PS2
Molecular Weight182.29 g/mol
Exact Mass182.04
IUPAC Nameethyl-bis(ethylsulfanyl)phosphane
SMILESCCSP(CC)SCC
InChIInChI=1S/C6H15PS2/c1-4-7(8-5-2)9-6-3/h4-6H2,1-3H3
InChIKeyTWCXHWNIOPGHAD-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.82
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 ethyl-bis(ethylsulfanyl)phosphane?
The IUPAC name of ethyl-bis(ethylsulfanyl)phosphane (CID 2785268) is ethyl-bis(ethylsulfanyl)phosphane.
What is the SMILES notation for ethyl-bis(ethylsulfanyl)phosphane?
The canonical SMILES for ethyl-bis(ethylsulfanyl)phosphane is CCSP(CC)SCC.
What is the InChIKey of ethyl-bis(ethylsulfanyl)phosphane?
The InChIKey is TWCXHWNIOPGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS2/c1-4-7(8-5-2)9-6-3/h4-6H2,1-3H3.
What are the key properties of ethyl-bis(ethylsulfanyl)phosphane?
ethyl-bis(ethylsulfanyl)phosphane has a molecular weight of 182.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis(ethylsulfanyl)phosphane is sourced from PubChem (CID 2785268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).