1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea

C10H22N2O2S — CID 104587643

IUPAC1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
SMILESCOCC(C)NC(=S)NCCOC(C)C
InChIInChI=1S/C10H22N2O2S/c1-8(2)14-6-5-11-10(15)12-9(3)7-13-4/h8-9H,5-7H2,1-4H3,(H2,11,12,15)
InChIKeyIQYLMKOIXHBZSZ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.91
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea

1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea (PubChem CID 104587643) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
PubChem CID104587643
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea
SMILESCOCC(C)NC(=S)NCCOC(C)C
InChIInChI=1S/C10H22N2O2S/c1-8(2)14-6-5-11-10(15)12-9(3)7-13-4/h8-9H,5-7H2,1-4H3,(H2,11,12,15)
InChIKeyIQYLMKOIXHBZSZ-UHFFFAOYSA-N
XLogP0.91
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea (CID 104587643) is 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea is COCC(C)NC(=S)NCCOC(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea?
The InChIKey is IQYLMKOIXHBZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-8(2)14-6-5-11-10(15)12-9(3)7-13-4/h8-9H,5-7H2,1-4H3,(H2,11,12,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea?
1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea has a molecular weight of 234.36 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(2-propan-2-yloxyethyl)thiourea is sourced from PubChem (CID 104587643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).