1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea

C9H20N2OS — CID 114941584

IUPAC1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea
SMILESCCNC(=S)NCC(C)(C)OCC
InChIInChI=1S/C9H20N2OS/c1-5-10-8(13)11-7-9(3,4)12-6-2/h5-7H2,1-4H3,(H2,10,11,13)
InChIKeyMZARZBJKYXLUFK-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.29
Rot. Bonds5

About 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea

1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea (PubChem CID 114941584) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea
PubChem CID114941584
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea
SMILESCCNC(=S)NCC(C)(C)OCC
InChIInChI=1S/C9H20N2OS/c1-5-10-8(13)11-7-9(3,4)12-6-2/h5-7H2,1-4H3,(H2,10,11,13)
InChIKeyMZARZBJKYXLUFK-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.29
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

1-(2-ethoxy-2-methylpropyl)-3-phenylthiourea
CID 114941586
1-(2,2-dimethylbutyl)-3-ethylthiourea
CID 103461015
1-ethyl-3-(2-methyl-2-methylsulfonylpropyl)thiourea
CID 115675097
2-[(2-ethoxy-2-methylpropyl)amino]-N-ethylacetamide
CID 114942015
N-(2-ethoxy-2-methylpropyl)butanamide
CID 114944319
2-[(2-ethoxy-2-methylpropyl)amino]-N-ethylpropanamide
CID 114942081
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 114943610
ethynyl N-(2-ethoxy-2-methylpropyl)carbamate
CID 163393137
2-(aminomethyl)-N-(2-ethoxy-2-methylpropyl)-2-methylbutanamide
CID 114941575
3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574
(2-ethoxy-2-methylpropyl)cyanamide
CID 114942123

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea?
The IUPAC name of 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea (CID 114941584) is 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea.
What is the SMILES notation for 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea?
The canonical SMILES for 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea is CCNC(=S)NCC(C)(C)OCC.
What is the InChIKey of 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea?
The InChIKey is MZARZBJKYXLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-5-10-8(13)11-7-9(3,4)12-6-2/h5-7H2,1-4H3,(H2,10,11,13).
What are the key properties of 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea?
1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea has a molecular weight of 204.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-methylpropyl)-3-ethylthiourea is sourced from PubChem (CID 114941584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).