1-cyclohexyl-1-ethylthiourea

C9H18N2S — CID 16782986

IUPAC1-cyclohexyl-1-ethylthiourea
SMILESCCN(C(N)=S)C1CCCCC1
InChIInChI=1S/C9H18N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyVGBZVQGJJBVFAS-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.88
Rot. Bonds2

About 1-cyclohexyl-1-ethylthiourea

1-cyclohexyl-1-ethylthiourea (PubChem CID 16782986) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethylthiourea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethylthiourea
PubChem CID16782986
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-cyclohexyl-1-ethylthiourea
SMILESCCN(C(N)=S)C1CCCCC1
InChIInChI=1S/C9H18N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyVGBZVQGJJBVFAS-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexyl-1,1-bis(2-methylpropyl)thiourea
CID 724237
1-Cyclohexyl-3-methylthiourea
CID 2725495
Dimethylzyklohexylthioharnstoff
CID 708395
3-Cyclohexyl-1,1-diethylthiourea
CID 727203
1-Butyl-3-cyclohexylthiourea
CID 2294926
1,1-Dicyclohexyl-3-methylthiourea
CID 3774934
1-Cyclohexyl-3-ethylthiourea
CID 3822789
1-Butan-2-yl-3-cyclohexylthiourea
CID 2917791
1,1-Dicyclohexylthiourea
CID 3847649
1-Cyclohexyl-3-propylthiourea
CID 13084945
N,N-Dihexylthiourea
CID 19875492
3-Butyl-1-(2-cyanoethyl)-1-cyclohexylthiourea
CID 2807323

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethylthiourea?
The IUPAC name of 1-cyclohexyl-1-ethylthiourea (CID 16782986) is 1-cyclohexyl-1-ethylthiourea.
What is the SMILES notation for 1-cyclohexyl-1-ethylthiourea?
The canonical SMILES for 1-cyclohexyl-1-ethylthiourea is CCN(C(N)=S)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethylthiourea?
The InChIKey is VGBZVQGJJBVFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 1-cyclohexyl-1-ethylthiourea?
1-cyclohexyl-1-ethylthiourea has a molecular weight of 186.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethylthiourea is sourced from PubChem (CID 16782986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).