1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea

C15H22N2OS — CID 60729327

IUPAC1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
SMILESCCc1ccccc1NC(=S)NCCC1CCCO1
InChIInChI=1S/C15H22N2OS/c1-2-12-6-3-4-8-14(12)17-15(19)16-10-9-13-7-5-11-18-13/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H2,16,17,19)
InChIKeyVZDRVOWBSMLLRV-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea

1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea (PubChem CID 60729327) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
PubChem CID60729327
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
SMILESCCc1ccccc1NC(=S)NCCC1CCCO1
InChIInChI=1S/C15H22N2OS/c1-2-12-6-3-4-8-14(12)17-15(19)16-10-9-13-7-5-11-18-13/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H2,16,17,19)
InChIKeyVZDRVOWBSMLLRV-UHFFFAOYSA-N
XLogP3.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-diethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
CID 60729630
1-[2-(oxolan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 62542838
1-(3-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea
CID 60729328
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
N-[3-[2-(oxolan-2-yl)ethylcarbamothioylamino]phenyl]acetamide
CID 60733960
1-(2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 886428
4-ethyl-N-[N-(2-ethylphenyl)-N'-[[(2S)-oxolan-2-yl]methyl]carbamimidoyl]benzamide
CID 94089986
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51390206
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
1-(2-benzoylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51390207
1-(2-aminophenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 131865654

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea (CID 60729327) is 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea is CCc1ccccc1NC(=S)NCCC1CCCO1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea?
The InChIKey is VZDRVOWBSMLLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-12-6-3-4-8-14(12)17-15(19)16-10-9-13-7-5-11-18-13/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea?
1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea has a molecular weight of 278.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-(oxolan-2-yl)ethyl]thiourea is sourced from PubChem (CID 60729327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).