1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea

C12H24N2S — CID 58689112

IUPAC1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea
SMILESCCNC(=S)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24N2S/c1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyNWEWZRONHJUCHZ-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.69
Rot. Bonds3

About 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea

1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea (PubChem CID 58689112) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea
PubChem CID58689112
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea
SMILESCCNC(=S)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H24N2S/c1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyNWEWZRONHJUCHZ-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.69
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-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea?
The IUPAC name of 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea (CID 58689112) is 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea?
The canonical SMILES for 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea is CCNC(=S)NC1CCC(C(C)C)CC1.
What is the InChIKey of 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea?
The InChIKey is NWEWZRONHJUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-4-13-12(15)14-11-7-5-10(6-8-11)9(2)3/h9-11H,4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea?
1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea has a molecular weight of 228.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propan-2-ylcyclohexyl)thiourea is sourced from PubChem (CID 58689112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).