(4-ethoxyphenyl)thiourea

C9H12N2OS — CID 853569

IUPAC(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(N)=S)cc1
InChIInChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)
InChIKeyQGLYTNIXHPCRCF-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.74
Rot. Bonds3

About (4-ethoxyphenyl)thiourea

(4-ethoxyphenyl)thiourea (PubChem CID 853569) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is (4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name(4-ethoxyphenyl)thiourea
PubChem CID853569
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(N)=S)cc1
InChIInChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13)
InChIKeyQGLYTNIXHPCRCF-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.74
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

Phenacetin
CID 4754
4-Ethoxyaniline
CID 9076
Dulcin
CID 9013
Isoxyl
CID 3001386
4-Hexyloxyaniline
CID 38360
4-Isopropoxydiphenylamine
CID 7574
Etocarlide
CID 667483
4-Butyloxyaniline
CID 20352
Thiambutosine
CID 3002003
N-(o-Methoxyphenyl)thiourea
CID 722774
N-(4-Methoxyphenyl)-N'-phenylthiourea
CID 686507
4-Thioureidoanisole
CID 667549

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)thiourea?
The IUPAC name of (4-ethoxyphenyl)thiourea (CID 853569) is (4-ethoxyphenyl)thiourea.
What is the SMILES notation for (4-ethoxyphenyl)thiourea?
The canonical SMILES for (4-ethoxyphenyl)thiourea is CCOc1ccc(NC(N)=S)cc1.
What is the InChIKey of (4-ethoxyphenyl)thiourea?
The InChIKey is QGLYTNIXHPCRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-12-8-5-3-7(4-6-8)11-9(10)13/h3-6H,2H2,1H3,(H3,10,11,13).
What are the key properties of (4-ethoxyphenyl)thiourea?
(4-ethoxyphenyl)thiourea has a molecular weight of 196.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)thiourea is sourced from PubChem (CID 853569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).