2-ethylsulfanylethylurea

C5H12N2OS — CID 21138948

IUPAC2-ethylsulfanylethylurea
SMILESCCSCCNC(N)=O
InChIInChI=1S/C5H12N2OS/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyXWRLJCNCVXILTN-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.41
Rot. Bonds4

About 2-ethylsulfanylethylurea

2-ethylsulfanylethylurea (PubChem CID 21138948) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-ethylsulfanylethylurea.

Molecular Properties

Compound Name2-ethylsulfanylethylurea
PubChem CID21138948
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-ethylsulfanylethylurea
SMILESCCSCCNC(N)=O
InChIInChI=1S/C5H12N2OS/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyXWRLJCNCVXILTN-UHFFFAOYSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.41
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
1-Methyl-3-(3-(methylsulfanyl)propyl)urea
CID 115640894
3-[2-(Methylamino)ethyl]-1-[2-(methylsulfanyl)ethyl]urea hydrochloride
CID 146049127
1-Sulfanylethylurea
CID 87845357
(2-((2-(Ethylthio)ethyl)thio)ethyl)urea
CID 3024161
Urea, N-(2-mercaptoethyl)-N'-methyl-
CID 533907
1-(2-Methylsulfanylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115604458
2-(2,2,2-Trifluoroethylsulfanyl)ethylurea
CID 138991840
1-[2-(Methylamino)ethyl]-3-[2-(methylsulfanyl)ethyl]urea
CID 146049128
2-[2-(Carbamoylamino)ethylsulfanyl]propanamide
CID 252276

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethylurea?
The IUPAC name of 2-ethylsulfanylethylurea (CID 21138948) is 2-ethylsulfanylethylurea.
What is the SMILES notation for 2-ethylsulfanylethylurea?
The canonical SMILES for 2-ethylsulfanylethylurea is CCSCCNC(N)=O.
What is the InChIKey of 2-ethylsulfanylethylurea?
The InChIKey is XWRLJCNCVXILTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8).
What are the key properties of 2-ethylsulfanylethylurea?
2-ethylsulfanylethylurea has a molecular weight of 148.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethylurea is sourced from PubChem (CID 21138948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).