1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea

C8H18N2OS — CID 89025991

IUPAC1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea
SMILESCN(CCOC(C)(C)C)C(N)=S
InChIInChI=1S/C8H18N2OS/c1-8(2,3)11-6-5-10(4)7(9)12/h5-6H2,1-4H3,(H2,9,12)
InChIKeyFCCYMHHPWGWURQ-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.98
Rot. Bonds3

About 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea

1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea (PubChem CID 89025991) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea
PubChem CID89025991
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea
SMILESCN(CCOC(C)(C)C)C(N)=S
InChIInChI=1S/C8H18N2OS/c1-8(2,3)11-6-5-10(4)7(9)12/h5-6H2,1-4H3,(H2,9,12)
InChIKeyFCCYMHHPWGWURQ-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea?
The IUPAC name of 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea (CID 89025991) is 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea.
What is the SMILES notation for 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea?
The canonical SMILES for 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea is CN(CCOC(C)(C)C)C(N)=S.
What is the InChIKey of 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea?
The InChIKey is FCCYMHHPWGWURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-8(2,3)11-6-5-10(4)7(9)12/h5-6H2,1-4H3,(H2,9,12).
What are the key properties of 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea?
1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea has a molecular weight of 190.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]thiourea is sourced from PubChem (CID 89025991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).