1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea

C10H18N2S — CID 130875150

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea
SMILESCCNC(=S)NCC1CC=CCC1
InChIInChI=1S/C10H18N2S/c1-2-11-10(13)12-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H2,11,12,13)
InChIKeyMWSYPVXTZPEXGG-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.83
Rot. Bonds3

About 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea

1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea (PubChem CID 130875150) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea
PubChem CID130875150
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea
SMILESCCNC(=S)NCC1CC=CCC1
InChIInChI=1S/C10H18N2S/c1-2-11-10(13)12-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H2,11,12,13)
InChIKeyMWSYPVXTZPEXGG-UHFFFAOYSA-N
XLogP1.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.83
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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Related Compounds

3-[2-(Cyclohexen-1-yl)ethyl]-1,1-dimethylthiourea
CID 2737948
3-[4-(5-Fluorocyclohepta-1,4,6-trien-1-yl)-2-methylbutyl]-1,1-dimethylthiourea
CID 90923956
N-methyl-N'-2-(1-cyclohexenyl)ethylthiourea
CID 3704223
1-t-Butyl-3-(cyclohex-3-en-1-yl)thiourea
CID 156612512
1-[(Endo-bicyclo[3.3.1]non-6-en-3-yl)-methyl]-3-t-butylthiourea
CID 156612544
1-[2-(Cyclohexen-1-yl)ethyl]-3-(2-methylpropyl)thiourea
CID 4564694
1-(2-Bicyclo[2.2.1]hept-5-enyl)-3-methylthiourea
CID 5191152
1-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yl]-3-propan-2-ylthiourea
CID 16085837
1-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yl]-3-pentan-3-ylthiourea
CID 16085838
4-[(2-Methylcyclohex-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11543017
4-(Cyclohex-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 11644077
4-(Cyclohex-3-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 16122798

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea (CID 130875150) is 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea is CCNC(=S)NCC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea?
The InChIKey is MWSYPVXTZPEXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-11-10(13)12-8-9-6-4-3-5-7-9/h3-4,9H,2,5-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea?
1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea has a molecular weight of 198.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-ethylthiourea is sourced from PubChem (CID 130875150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).