(2-cyclopentylphenyl)thiourea

C12H16N2S — CID 123980328

IUPAC(2-cyclopentylphenyl)thiourea
SMILESNC(=S)Nc1ccccc1C1CCCC1
InChIInChI=1S/C12H16N2S/c13-12(15)14-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H3,13,14,15)
InChIKeyRWLVWECYWWLJJW-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.00
Rot. Bonds2

About (2-cyclopentylphenyl)thiourea

(2-cyclopentylphenyl)thiourea (PubChem CID 123980328) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2-cyclopentylphenyl)thiourea.

Molecular Properties

Compound Name(2-cyclopentylphenyl)thiourea
PubChem CID123980328
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name(2-cyclopentylphenyl)thiourea
SMILESNC(=S)Nc1ccccc1C1CCCC1
InChIInChI=1S/C12H16N2S/c13-12(15)14-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H3,13,14,15)
InChIKeyRWLVWECYWWLJJW-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylphenyl)thiourea?
The IUPAC name of (2-cyclopentylphenyl)thiourea (CID 123980328) is (2-cyclopentylphenyl)thiourea.
What is the SMILES notation for (2-cyclopentylphenyl)thiourea?
The canonical SMILES for (2-cyclopentylphenyl)thiourea is NC(=S)Nc1ccccc1C1CCCC1.
What is the InChIKey of (2-cyclopentylphenyl)thiourea?
The InChIKey is RWLVWECYWWLJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c13-12(15)14-11-8-4-3-7-10(11)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H3,13,14,15).
What are the key properties of (2-cyclopentylphenyl)thiourea?
(2-cyclopentylphenyl)thiourea has a molecular weight of 220.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylphenyl)thiourea is sourced from PubChem (CID 123980328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).