3-cyclopentylprop-2-enylthiourea

C9H16N2S — CID 165175603

IUPAC3-cyclopentylprop-2-enylthiourea
SMILESNC(=S)NCC=CC1CCCC1
InChIInChI=1S/C9H16N2S/c10-9(12)11-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5,7H2,(H3,10,11,12)
InChIKeyVPFCVPHLDXCYBE-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.57
Rot. Bonds3

About 3-cyclopentylprop-2-enylthiourea

3-cyclopentylprop-2-enylthiourea (PubChem CID 165175603) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-cyclopentylprop-2-enylthiourea.

Molecular Properties

Compound Name3-cyclopentylprop-2-enylthiourea
PubChem CID165175603
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name3-cyclopentylprop-2-enylthiourea
SMILESNC(=S)NCC=CC1CCCC1
InChIInChI=1S/C9H16N2S/c10-9(12)11-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5,7H2,(H3,10,11,12)
InChIKeyVPFCVPHLDXCYBE-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.57
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

2-Cyclohex-2-en-1-ylethylthiourea
CID 89778547
6-Methylhept-2-enylthiourea
CID 165175586
(4-Methyl-3-propan-2-ylpent-2-enyl)thiourea
CID 165175589
5-Methylhept-2-enylthiourea
CID 165175595
3-Cyclohexylprop-2-enylthiourea
CID 165175601

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylprop-2-enylthiourea?
The IUPAC name of 3-cyclopentylprop-2-enylthiourea (CID 165175603) is 3-cyclopentylprop-2-enylthiourea.
What is the SMILES notation for 3-cyclopentylprop-2-enylthiourea?
The canonical SMILES for 3-cyclopentylprop-2-enylthiourea is NC(=S)NCC=CC1CCCC1.
What is the InChIKey of 3-cyclopentylprop-2-enylthiourea?
The InChIKey is VPFCVPHLDXCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c10-9(12)11-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5,7H2,(H3,10,11,12).
What are the key properties of 3-cyclopentylprop-2-enylthiourea?
3-cyclopentylprop-2-enylthiourea has a molecular weight of 184.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylprop-2-enylthiourea is sourced from PubChem (CID 165175603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).