1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea

C10H20N2OS — CID 103734937

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCCC1(CNC(=S)NCCOC)CC1
InChIInChI=1S/C10H20N2OS/c1-3-10(4-5-10)8-12-9(14)11-6-7-13-2/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyOJOVGPQMBQKJDY-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.29
Rot. Bonds6

About 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea

1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea (PubChem CID 103734937) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea
PubChem CID103734937
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCCC1(CNC(=S)NCCOC)CC1
InChIInChI=1S/C10H20N2OS/c1-3-10(4-5-10)8-12-9(14)11-6-7-13-2/h3-8H2,1-2H3,(H2,11,12,14)
InChIKeyOJOVGPQMBQKJDY-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea (CID 103734937) is 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea is CCC1(CNC(=S)NCCOC)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is OJOVGPQMBQKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-10(4-5-10)8-12-9(14)11-6-7-13-2/h3-8H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea?
1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 216.35 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 103734937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).