2-(2-methylsulfanylethylsulfanyl)ethylurea

C6H14N2OS2 — CID 20564663

IUPAC2-(2-methylsulfanylethylsulfanyl)ethylurea
SMILESCSCCSCCNC(N)=O
InChIInChI=1S/C6H14N2OS2/c1-10-4-5-11-3-2-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
InChIKeyKCGREOZMUWVTMO-UHFFFAOYSA-N
MW194.32 g/mol
LogP0.75
Rot. Bonds6

About 2-(2-methylsulfanylethylsulfanyl)ethylurea

2-(2-methylsulfanylethylsulfanyl)ethylurea (PubChem CID 20564663) has the molecular formula C6H14N2OS2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(2-methylsulfanylethylsulfanyl)ethylurea.

Molecular Properties

Compound Name2-(2-methylsulfanylethylsulfanyl)ethylurea
PubChem CID20564663
Molecular FormulaC6H14N2OS2
Molecular Weight194.32 g/mol
Exact Mass194.05
IUPAC Name2-(2-methylsulfanylethylsulfanyl)ethylurea
SMILESCSCCSCCNC(N)=O
InChIInChI=1S/C6H14N2OS2/c1-10-4-5-11-3-2-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
InChIKeyKCGREOZMUWVTMO-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 50.75
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
1-Methyl-3-(3-(methylsulfanyl)propyl)urea
CID 115640894
Di-(beta-ureidoathyl)-disulfid
CID 21537619
1-Sulfanylethylurea
CID 87845357
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
Urea, N-(2-mercaptoethyl)-N'-methyl-
CID 533907
1,3-Bis(2-sulfanylethyl)urea
CID 71374118
2-(2,2,2-Trifluoroethylsulfanyl)ethylurea
CID 138991840
1-[2-(Methylamino)ethyl]-3-[2-(methylsulfanyl)ethyl]urea
CID 146049128
1,3-Bis(2-propylsulfanylethyl)urea
CID 300590

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethylsulfanyl)ethylurea?
The IUPAC name of 2-(2-methylsulfanylethylsulfanyl)ethylurea (CID 20564663) is 2-(2-methylsulfanylethylsulfanyl)ethylurea.
What is the SMILES notation for 2-(2-methylsulfanylethylsulfanyl)ethylurea?
The canonical SMILES for 2-(2-methylsulfanylethylsulfanyl)ethylurea is CSCCSCCNC(N)=O.
What is the InChIKey of 2-(2-methylsulfanylethylsulfanyl)ethylurea?
The InChIKey is KCGREOZMUWVTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS2/c1-10-4-5-11-3-2-8-6(7)9/h2-5H2,1H3,(H3,7,8,9).
What are the key properties of 2-(2-methylsulfanylethylsulfanyl)ethylurea?
2-(2-methylsulfanylethylsulfanyl)ethylurea has a molecular weight of 194.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethylsulfanyl)ethylurea is sourced from PubChem (CID 20564663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).