1-methyl-3-(2-sulfanylethyl)urea

C4H10N2OS — CID 533907

IUPAC1-methyl-3-(2-sulfanylethyl)urea
SMILESCNC(=O)NCCS
InChIInChI=1S/C4H10N2OS/c1-5-4(7)6-2-3-8/h8H,2-3H2,1H3,(H2,5,6,7)
InChIKeyGZFMPEKGONDQFE-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.15
Rot. Bonds2

About 1-methyl-3-(2-sulfanylethyl)urea

1-methyl-3-(2-sulfanylethyl)urea (PubChem CID 533907) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-methyl-3-(2-sulfanylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-sulfanylethyl)urea
PubChem CID533907
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name1-methyl-3-(2-sulfanylethyl)urea
SMILESCNC(=O)NCCS
InChIInChI=1S/C4H10N2OS/c1-5-4(7)6-2-3-8/h8H,2-3H2,1H3,(H2,5,6,7)
InChIKeyGZFMPEKGONDQFE-UHFFFAOYSA-N
XLogP-0.15
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-sulfanylethyl)urea?
The IUPAC name of 1-methyl-3-(2-sulfanylethyl)urea (CID 533907) is 1-methyl-3-(2-sulfanylethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-sulfanylethyl)urea?
The canonical SMILES for 1-methyl-3-(2-sulfanylethyl)urea is CNC(=O)NCCS.
What is the InChIKey of 1-methyl-3-(2-sulfanylethyl)urea?
The InChIKey is GZFMPEKGONDQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-5-4(7)6-2-3-8/h8H,2-3H2,1H3,(H2,5,6,7).
What are the key properties of 1-methyl-3-(2-sulfanylethyl)urea?
1-methyl-3-(2-sulfanylethyl)urea has a molecular weight of 134.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-sulfanylethyl)urea is sourced from PubChem (CID 533907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).