1-methylsulfanylethylurea

C4H10N2OS — CID 130316940

IUPAC1-methylsulfanylethylurea
SMILESCSC(C)NC(N)=O
InChIInChI=1S/C4H10N2OS/c1-3(8-2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChIKeyWVQTVOYNCDDZEK-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.36
Rot. Bonds2

About 1-methylsulfanylethylurea

1-methylsulfanylethylurea (PubChem CID 130316940) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-methylsulfanylethylurea.

Molecular Properties

Compound Name1-methylsulfanylethylurea
PubChem CID130316940
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-methylsulfanylethylurea
SMILESCSC(C)NC(N)=O
InChIInChI=1S/C4H10N2OS/c1-3(8-2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChIKeyWVQTVOYNCDDZEK-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylethylurea?
The IUPAC name of 1-methylsulfanylethylurea (CID 130316940) is 1-methylsulfanylethylurea.
What is the SMILES notation for 1-methylsulfanylethylurea?
The canonical SMILES for 1-methylsulfanylethylurea is CSC(C)NC(N)=O.
What is the InChIKey of 1-methylsulfanylethylurea?
The InChIKey is WVQTVOYNCDDZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3(8-2)6-4(5)7/h3H,1-2H3,(H3,5,6,7).
What are the key properties of 1-methylsulfanylethylurea?
1-methylsulfanylethylurea has a molecular weight of 134.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylethylurea is sourced from PubChem (CID 130316940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).