2-(2-propylsulfanylethylsulfanyl)ethylurea

C8H18N2OS2 — CID 59941923

IUPAC2-(2-propylsulfanylethylsulfanyl)ethylurea
SMILESCCCSCCSCCNC(N)=O
InChIInChI=1S/C8H18N2OS2/c1-2-4-12-6-7-13-5-3-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyHZBSMYNQSKHBIS-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.53
Rot. Bonds8

About 2-(2-propylsulfanylethylsulfanyl)ethylurea

2-(2-propylsulfanylethylsulfanyl)ethylurea (PubChem CID 59941923) has the molecular formula C8H18N2OS2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(2-propylsulfanylethylsulfanyl)ethylurea.

Molecular Properties

Compound Name2-(2-propylsulfanylethylsulfanyl)ethylurea
PubChem CID59941923
Molecular FormulaC8H18N2OS2
Molecular Weight222.38 g/mol
Exact Mass222.09
IUPAC Name2-(2-propylsulfanylethylsulfanyl)ethylurea
SMILESCCCSCCSCCNC(N)=O
InChIInChI=1S/C8H18N2OS2/c1-2-4-12-6-7-13-5-3-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
InChIKeyHZBSMYNQSKHBIS-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfanylethylsulfanyl)ethylurea?
The IUPAC name of 2-(2-propylsulfanylethylsulfanyl)ethylurea (CID 59941923) is 2-(2-propylsulfanylethylsulfanyl)ethylurea.
What is the SMILES notation for 2-(2-propylsulfanylethylsulfanyl)ethylurea?
The canonical SMILES for 2-(2-propylsulfanylethylsulfanyl)ethylurea is CCCSCCSCCNC(N)=O.
What is the InChIKey of 2-(2-propylsulfanylethylsulfanyl)ethylurea?
The InChIKey is HZBSMYNQSKHBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS2/c1-2-4-12-6-7-13-5-3-10-8(9)11/h2-7H2,1H3,(H3,9,10,11).
What are the key properties of 2-(2-propylsulfanylethylsulfanyl)ethylurea?
2-(2-propylsulfanylethylsulfanyl)ethylurea has a molecular weight of 222.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfanylethylsulfanyl)ethylurea is sourced from PubChem (CID 59941923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).