1,3-diethyl-1-methoxythiourea

C6H14N2OS — CID 130891850

IUPAC1,3-diethyl-1-methoxythiourea
SMILESCCNC(=S)N(CC)OC
InChIInChI=1S/C6H14N2OS/c1-4-7-6(10)8(5-2)9-3/h4-5H2,1-3H3,(H,7,10)
InChIKeyGDZGRNKNQMRIOF-UHFFFAOYSA-N
MW162.26 g/mol
LogP0.76
Rot. Bonds3

About 1,3-diethyl-1-methoxythiourea

1,3-diethyl-1-methoxythiourea (PubChem CID 130891850) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 1,3-diethyl-1-methoxythiourea.

Molecular Properties

Compound Name1,3-diethyl-1-methoxythiourea
PubChem CID130891850
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name1,3-diethyl-1-methoxythiourea
SMILESCCNC(=S)N(CC)OC
InChIInChI=1S/C6H14N2OS/c1-4-7-6(10)8(5-2)9-3/h4-5H2,1-3H3,(H,7,10)
InChIKeyGDZGRNKNQMRIOF-UHFFFAOYSA-N
XLogP0.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-1-(1-methoxypropan-2-yl)thiourea
CID 116507879
methyl N-ethyl-N-methoxycarbamate
CID 142794399
ethyl(methoxy)carbamic acid
CID 20532492
ethyl(methoxy)carbamothioic S-acid
CID 148919779
amino N-ethyl-N-methoxycarbamate
CID 91118024
3-ethyl-1-pentyl-1-propan-2-ylthiourea
CID 115594194
1-benzyl-3-ethyl-1-[(4-methoxyphenyl)methyl]thiourea
CID 17385327
O-ethyl N-ethylcarbamothioate;silver
CID 166748918
3-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507904
azane;ethylthiourea
CID 175294002
ethylcarbamodithioic acid;hydrate
CID 88596590
3-ethyl-1-[(3-methoxyphenyl)methyl]-1-methylthiourea
CID 8768028

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-methoxythiourea?
The IUPAC name of 1,3-diethyl-1-methoxythiourea (CID 130891850) is 1,3-diethyl-1-methoxythiourea.
What is the SMILES notation for 1,3-diethyl-1-methoxythiourea?
The canonical SMILES for 1,3-diethyl-1-methoxythiourea is CCNC(=S)N(CC)OC.
What is the InChIKey of 1,3-diethyl-1-methoxythiourea?
The InChIKey is GDZGRNKNQMRIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-4-7-6(10)8(5-2)9-3/h4-5H2,1-3H3,(H,7,10).
What are the key properties of 1,3-diethyl-1-methoxythiourea?
1,3-diethyl-1-methoxythiourea has a molecular weight of 162.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-methoxythiourea is sourced from PubChem (CID 130891850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).