1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea

C10H18N2OS — CID 115583562

IUPAC1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)NC1CC1)C1CC1
InChIInChI=1S/C10H18N2OS/c1-13-7-6-12(9-4-5-9)10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H,11,14)
InChIKeyOAMZUVQHYVJJHT-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.13
Rot. Bonds5

About 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea

1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea (PubChem CID 115583562) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
PubChem CID115583562
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea
SMILESCOCCN(C(=S)NC1CC1)C1CC1
InChIInChI=1S/C10H18N2OS/c1-13-7-6-12(9-4-5-9)10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H,11,14)
InChIKeyOAMZUVQHYVJJHT-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.13
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 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
The IUPAC name of 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea (CID 115583562) is 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
The canonical SMILES for 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea is COCCN(C(=S)NC1CC1)C1CC1.
What is the InChIKey of 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
The InChIKey is OAMZUVQHYVJJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-13-7-6-12(9-4-5-9)10(14)11-8-2-3-8/h8-9H,2-7H2,1H3,(H,11,14).
What are the key properties of 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea?
1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea has a molecular weight of 214.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyl-1-(2-methoxyethyl)thiourea is sourced from PubChem (CID 115583562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).