2-(2-ethylsulfanylethylsulfanyl)ethylurea

C7H16N2OS2 — CID 3024161

IUPAC2-(2-ethylsulfanylethylsulfanyl)ethylurea
SMILESCCSCCSCCNC(N)=O
InChIInChI=1S/C7H16N2OS2/c1-2-11-5-6-12-4-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyIKZUKWVJEAFQBN-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.14
Rot. Bonds7

About 2-(2-ethylsulfanylethylsulfanyl)ethylurea

2-(2-ethylsulfanylethylsulfanyl)ethylurea (PubChem CID 3024161) has the molecular formula C7H16N2OS2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethylsulfanyl)ethylurea.

Molecular Properties

Compound Name2-(2-ethylsulfanylethylsulfanyl)ethylurea
PubChem CID3024161
Molecular FormulaC7H16N2OS2
Molecular Weight208.35 g/mol
Exact Mass208.07
IUPAC Name2-(2-ethylsulfanylethylsulfanyl)ethylurea
SMILESCCSCCSCCNC(N)=O
InChIInChI=1S/C7H16N2OS2/c1-2-11-5-6-12-4-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyIKZUKWVJEAFQBN-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.14
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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Related Compounds

[2-(Methylsulfanyl)ethyl]urea
CID 248540
1,3-Bis(2-(methylsulfanyl)ethyl)urea
CID 86123774
3,3-Dimethyl-1-(2-(methylsulfanyl)ethyl)urea
CID 115575774
3-[2-(Methylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea hydrochloride
CID 146049127
1-[2-(Methylamino)ethyl]-3-[2-(methylsulfanyl)ethyl]urea
CID 146049128
1,3-Bis(2-propylsulfanylethyl)urea
CID 300590
N-Methyl-1-[2-(methylcarbamoylamino)ethylsulfanyl]formamide
CID 349968
S-[2-(carbamoylamino)ethyl] carbamothioate
CID 20339946
N-(3,6-dithiaoctyl)-N'-methyl urea
CID 20564655
1-[2-(2-Ethylsulfanylethylsulfanyl)ethyl]-3-methylsulfonylurea
CID 20564656
2-(2-Methylsulfanylethylsulfanyl)ethylurea
CID 20564663
3-Methylsulfanylpropylurea
CID 20756432

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethylsulfanyl)ethylurea?
The IUPAC name of 2-(2-ethylsulfanylethylsulfanyl)ethylurea (CID 3024161) is 2-(2-ethylsulfanylethylsulfanyl)ethylurea.
What is the SMILES notation for 2-(2-ethylsulfanylethylsulfanyl)ethylurea?
The canonical SMILES for 2-(2-ethylsulfanylethylsulfanyl)ethylurea is CCSCCSCCNC(N)=O.
What is the InChIKey of 2-(2-ethylsulfanylethylsulfanyl)ethylurea?
The InChIKey is IKZUKWVJEAFQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS2/c1-2-11-5-6-12-4-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10).
What are the key properties of 2-(2-ethylsulfanylethylsulfanyl)ethylurea?
2-(2-ethylsulfanylethylsulfanyl)ethylurea has a molecular weight of 208.35 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethylsulfanyl)ethylurea is sourced from PubChem (CID 3024161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).