3-cyclohexyl-1,1-diethylthiourea

C11H22N2S — CID 727203

IUPAC3-cyclohexyl-1,1-diethylthiourea
SMILESCCN(CC)C(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2S/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyGLKHKUPLTXFSQT-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.54
Rot. Bonds3

About 3-cyclohexyl-1,1-diethylthiourea

3-cyclohexyl-1,1-diethylthiourea (PubChem CID 727203) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-diethylthiourea.

Molecular Properties

Compound Name3-cyclohexyl-1,1-diethylthiourea
PubChem CID727203
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-cyclohexyl-1,1-diethylthiourea
SMILESCCN(CC)C(=S)NC1CCCCC1
InChIInChI=1S/C11H22N2S/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyGLKHKUPLTXFSQT-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
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 3-cyclohexyl-1,1-diethylthiourea?
The IUPAC name of 3-cyclohexyl-1,1-diethylthiourea (CID 727203) is 3-cyclohexyl-1,1-diethylthiourea.
What is the SMILES notation for 3-cyclohexyl-1,1-diethylthiourea?
The canonical SMILES for 3-cyclohexyl-1,1-diethylthiourea is CCN(CC)C(=S)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1,1-diethylthiourea?
The InChIKey is GLKHKUPLTXFSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-13(4-2)11(14)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of 3-cyclohexyl-1,1-diethylthiourea?
3-cyclohexyl-1,1-diethylthiourea has a molecular weight of 214.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-diethylthiourea is sourced from PubChem (CID 727203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).