ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane

C5H13PS2 — CID 134985367

IUPACethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane
SMILESCCSP(C)(=S)CC
InChIInChI=1S/C5H13PS2/c1-4-6(3,7)8-5-2/h4-5H2,1-3H3
InChIKeyMDMPNBJHTWGYTL-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.78
Rot. Bonds3

About ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane

ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane (PubChem CID 134985367) has the molecular formula C5H13PS2 and a molecular weight of 168.27 g/mol. Its IUPAC name is ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane
PubChem CID134985367
Molecular FormulaC5H13PS2
Molecular Weight168.27 g/mol
Exact Mass168.02
IUPAC Nameethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane
SMILESCCSP(C)(=S)CC
InChIInChI=1S/C5H13PS2/c1-4-6(3,7)8-5-2/h4-5H2,1-3H3
InChIKeyMDMPNBJHTWGYTL-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.78
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-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane (CID 134985367) is ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane is CCSP(C)(=S)CC.
What is the InChIKey of ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is MDMPNBJHTWGYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13PS2/c1-4-6(3,7)8-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane?
ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 168.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylsulfanyl-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 134985367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).