1-(3-cyclopropylpropyl)-3-ethylthiourea

C9H18N2S — CID 115635630

IUPAC1-(3-cyclopropylpropyl)-3-ethylthiourea
SMILESCCNC(=S)NCCCC1CC1
InChIInChI=1S/C9H18N2S/c1-2-10-9(12)11-7-3-4-8-5-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyWSPCQXRWELFLBZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.66
Rot. Bonds5

About 1-(3-cyclopropylpropyl)-3-ethylthiourea

1-(3-cyclopropylpropyl)-3-ethylthiourea (PubChem CID 115635630) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(3-cyclopropylpropyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(3-cyclopropylpropyl)-3-ethylthiourea
PubChem CID115635630
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name1-(3-cyclopropylpropyl)-3-ethylthiourea
SMILESCCNC(=S)NCCCC1CC1
InChIInChI=1S/C9H18N2S/c1-2-10-9(12)11-7-3-4-8-5-6-8/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyWSPCQXRWELFLBZ-UHFFFAOYSA-N
XLogP1.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopropylpropyl)-3-propylthiourea
CID 115635620
1-butyl-3-[2-(4-methylcyclohexyl)ethyl]thiourea
CID 116508788
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
CID 115687449
3-cycloheptyl-N-ethylpropanethioamide
CID 144615502
1-acetamido-3-(4-cyclohexylbutyl)thiourea
CID 73346501
2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
CID 111792061
1-(3-cyclopropylpropyl)-2-propylguanidine
CID 115679595
1-[(4-ethylcyclohexyl)methyl]-3-propylthiourea
CID 115594237
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158
2-[[(3-cyclopropylpropylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111796815
1-butyl-3-(1-cyclopropylbutan-2-yl)thiourea
CID 115624400

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropyl)-3-ethylthiourea?
The IUPAC name of 1-(3-cyclopropylpropyl)-3-ethylthiourea (CID 115635630) is 1-(3-cyclopropylpropyl)-3-ethylthiourea.
What is the SMILES notation for 1-(3-cyclopropylpropyl)-3-ethylthiourea?
The canonical SMILES for 1-(3-cyclopropylpropyl)-3-ethylthiourea is CCNC(=S)NCCCC1CC1.
What is the InChIKey of 1-(3-cyclopropylpropyl)-3-ethylthiourea?
The InChIKey is WSPCQXRWELFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-10-9(12)11-7-3-4-8-5-6-8/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-(3-cyclopropylpropyl)-3-ethylthiourea?
1-(3-cyclopropylpropyl)-3-ethylthiourea has a molecular weight of 186.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropyl)-3-ethylthiourea is sourced from PubChem (CID 115635630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).