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

C5H12N2OS — CID 22949110

IUPAC1-methyl-3-(2-methylsulfanylethyl)urea
SMILESCNC(=O)NCCSC
InChIInChI=1S/C5H12N2OS/c1-6-5(8)7-3-4-9-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyDNRVIXCFBJGGPT-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.28
Rot. Bonds3

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

1-methyl-3-(2-methylsulfanylethyl)urea (PubChem CID 22949110) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-methyl-3-(2-methylsulfanylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylsulfanylethyl)urea
PubChem CID22949110
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-methyl-3-(2-methylsulfanylethyl)urea
SMILESCNC(=O)NCCSC
InChIInChI=1S/C5H12N2OS/c1-6-5(8)7-3-4-9-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKeyDNRVIXCFBJGGPT-UHFFFAOYSA-N
XLogP0.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
3,3-Dimethyl-1-(3-(methylsulfanyl)propyl)urea
CID 115636311
1-Methyl-3-(3-(methylsulfanyl)propyl)urea
CID 115640894
3-[2-(Methylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea hydrochloride
CID 146049127
3-[2-(Dimethylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea
CID 165670898
1-Sulfanylethylurea
CID 87845357
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
1-[3-[Difluoro(methyl)-lambda4-sulfanyl]propyl]-3-methylurea
CID 170264475
Urea, N-(2-mercaptoethyl)-N'-methyl-
CID 533907
1,3-Bis(2-sulfanylethyl)urea
CID 71374118

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylsulfanylethyl)urea?
The IUPAC name of 1-methyl-3-(2-methylsulfanylethyl)urea (CID 22949110) is 1-methyl-3-(2-methylsulfanylethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methylsulfanylethyl)urea?
The canonical SMILES for 1-methyl-3-(2-methylsulfanylethyl)urea is CNC(=O)NCCSC.
What is the InChIKey of 1-methyl-3-(2-methylsulfanylethyl)urea?
The InChIKey is DNRVIXCFBJGGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-6-5(8)7-3-4-9-2/h3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 1-methyl-3-(2-methylsulfanylethyl)urea?
1-methyl-3-(2-methylsulfanylethyl)urea has a molecular weight of 148.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylsulfanylethyl)urea is sourced from PubChem (CID 22949110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).