1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea

C11H20N2S — CID 17382714

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea
SMILESCCNC(=S)NCCC1=CCCCC1
InChIInChI=1S/C11H20N2S/c1-2-12-11(14)13-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3,(H2,12,13,14)
InChIKeyDSMXNIYXXMRMES-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea

1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea (PubChem CID 17382714) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea
PubChem CID17382714
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea
SMILESCCNC(=S)NCCC1=CCCCC1
InChIInChI=1S/C11H20N2S/c1-2-12-11(14)13-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3,(H2,12,13,14)
InChIKeyDSMXNIYXXMRMES-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea (CID 17382714) is 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea is CCNC(=S)NCCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea?
The InChIKey is DSMXNIYXXMRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-12-11(14)13-9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3,(H2,12,13,14).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea?
1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea has a molecular weight of 212.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-ethylthiourea is sourced from PubChem (CID 17382714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).