ethylsulfanylethane;phosphane

C4H13PS — CID 88694996

IUPACethylsulfanylethane;phosphane
SMILESCCSCC.P
InChIInChI=1S/C4H10S.H3P/c1-3-5-4-2;/h3-4H2,1-2H3;1H3
InChIKeyYBMBNMRLJHSUPN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.82
Rot. Bonds2

About ethylsulfanylethane;phosphane

ethylsulfanylethane;phosphane (PubChem CID 88694996) has the molecular formula C4H13PS and a molecular weight of 124.19 g/mol. Its IUPAC name is ethylsulfanylethane;phosphane.

Molecular Properties

Compound Nameethylsulfanylethane;phosphane
PubChem CID88694996
Molecular FormulaC4H13PS
Molecular Weight124.19 g/mol
Exact Mass124.05
IUPAC Nameethylsulfanylethane;phosphane
SMILESCCSCC.P
InChIInChI=1S/C4H10S.H3P/c1-3-5-4-2;/h3-4H2,1-2H3;1H3
InChIKeyYBMBNMRLJHSUPN-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane;phosphane?
The IUPAC name of ethylsulfanylethane;phosphane (CID 88694996) is ethylsulfanylethane;phosphane.
What is the SMILES notation for ethylsulfanylethane;phosphane?
The canonical SMILES for ethylsulfanylethane;phosphane is CCSCC.P.
What is the InChIKey of ethylsulfanylethane;phosphane?
The InChIKey is YBMBNMRLJHSUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.H3P/c1-3-5-4-2;/h3-4H2,1-2H3;1H3.
What are the key properties of ethylsulfanylethane;phosphane?
ethylsulfanylethane;phosphane has a molecular weight of 124.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane;phosphane is sourced from PubChem (CID 88694996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).