1-cyclohexyl-3-ethylthiourea

C9H18N2S — CID 3822789

IUPAC1-cyclohexyl-3-ethylthiourea
SMILESCCNC(=S)NC1CCCCC1
InChIInChI=1S/C9H18N2S/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyPSDFTJOTDVXMLP-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.80
Rot. Bonds2

About 1-cyclohexyl-3-ethylthiourea

1-cyclohexyl-3-ethylthiourea (PubChem CID 3822789) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-ethylthiourea
PubChem CID3822789
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-cyclohexyl-3-ethylthiourea
SMILESCCNC(=S)NC1CCCCC1
InChIInChI=1S/C9H18N2S/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyPSDFTJOTDVXMLP-UHFFFAOYSA-N
XLogP1.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-cyclohexyl-3-ethylthiourea?
The IUPAC name of 1-cyclohexyl-3-ethylthiourea (CID 3822789) is 1-cyclohexyl-3-ethylthiourea.
What is the SMILES notation for 1-cyclohexyl-3-ethylthiourea?
The canonical SMILES for 1-cyclohexyl-3-ethylthiourea is CCNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethylthiourea?
The InChIKey is PSDFTJOTDVXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-10-9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclohexyl-3-ethylthiourea?
1-cyclohexyl-3-ethylthiourea has a molecular weight of 186.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethylthiourea is sourced from PubChem (CID 3822789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).