1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea

C6H14N2OS — CID 100946286

IUPAC1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea
SMILESCCN(CCO)C(=S)NC
InChIInChI=1S/C6H14N2OS/c1-3-8(4-5-9)6(10)7-2/h9H,3-5H2,1-2H3,(H,7,10)
InChIKeyNEGZJCLWAHTEBP-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.20
Rot. Bonds3

About 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea

1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea (PubChem CID 100946286) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea
PubChem CID100946286
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea
SMILESCCN(CCO)C(=S)NC
InChIInChI=1S/C6H14N2OS/c1-3-8(4-5-9)6(10)7-2/h9H,3-5H2,1-2H3,(H,7,10)
InChIKeyNEGZJCLWAHTEBP-UHFFFAOYSA-N
XLogP-0.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrahydro-5-(2-hydroxyethyl)-1,3,5-triazine-2(1H)-thione
CID 731344
2-Imidazolidinethione, 1-(2-hydroxyethyl)-
CID 2801741
(2-Hydroxyethyl)thiourea
CID 3254090
1-(2-Hydroxyethyl)-3-propylthiourea
CID 2824653
1,3,5-Triazine-2(1H)-thione, tetrahydro-5-(2-hydroxyethyl)-1-(hydroxymethyl)-
CID 3034896
1,3-Bis(2-hydroxyethyl)thiourea
CID 22411782
1-(2-Fluoro-2-hydroxyethyl)-3-methylthiourea
CID 164552058
1-Ethyl-3-(2-hydroxyethyl)thiourea
CID 3281145
3-[Bis(2-hydroxyethyl)carbamothioyl]-1,1-dimethylthiourea
CID 134890913
3-(2-Fluoroethyl)-1-(2-hydroxyethyl)thiourea
CID 165508063
Piperazine, 1-[2-hydroxyethyl]-4-[N-methylthiocarbamyl]-
CID 5369236
2,5-Diazahexan-1,6-dithionic amide, 2-[2-hydroxyethyl]-N,N'-dimethyl-
CID 5377232

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea?
The IUPAC name of 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea (CID 100946286) is 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea?
The canonical SMILES for 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea is CCN(CCO)C(=S)NC.
What is the InChIKey of 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea?
The InChIKey is NEGZJCLWAHTEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-3-8(4-5-9)6(10)7-2/h9H,3-5H2,1-2H3,(H,7,10).
What are the key properties of 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea?
1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea has a molecular weight of 162.26 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxyethyl)-3-methylthiourea is sourced from PubChem (CID 100946286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).