2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea

C8H18N2OS2 — CID 59941916

IUPAC2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea
SMILESCSC(C)(C)CSCCNC(N)=O
InChIInChI=1S/C8H18N2OS2/c1-8(2,12-3)6-13-5-4-10-7(9)11/h4-6H2,1-3H3,(H3,9,10,11)
InChIKeyMVWLYVIVBVJWCO-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.53
Rot. Bonds6

About 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea

2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea (PubChem CID 59941916) has the molecular formula C8H18N2OS2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea.

Molecular Properties

Compound Name2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea
PubChem CID59941916
Molecular FormulaC8H18N2OS2
Molecular Weight222.38 g/mol
Exact Mass222.09
IUPAC Name2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea
SMILESCSC(C)(C)CSCCNC(N)=O
InChIInChI=1S/C8H18N2OS2/c1-8(2,12-3)6-13-5-4-10-7(9)11/h4-6H2,1-3H3,(H3,9,10,11)
InChIKeyMVWLYVIVBVJWCO-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-methyl-2-methylsulfanylpropyl)sulfanylethylurea?
The IUPAC name of 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea (CID 59941916) is 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea.
What is the SMILES notation for 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea?
The canonical SMILES for 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea is CSC(C)(C)CSCCNC(N)=O.
What is the InChIKey of 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea?
The InChIKey is MVWLYVIVBVJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS2/c1-8(2,12-3)6-13-5-4-10-7(9)11/h4-6H2,1-3H3,(H3,9,10,11).
What are the key properties of 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea?
2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea has a molecular weight of 222.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-methylsulfanylpropyl)sulfanylethylurea is sourced from PubChem (CID 59941916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).