1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea

C9H13N3OS — CID 166479239

IUPAC1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc(N)c(O)c1
InChIInChI=1S/C9H13N3OS/c1-2-11-9(14)12-6-3-4-7(10)8(13)5-6/h3-5,13H,2,10H2,1H3,(H2,11,12,14)
InChIKeyFXHZWARUMLJRLA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.28
Rot. Bonds2

About 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea

1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea (PubChem CID 166479239) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea
PubChem CID166479239
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1ccc(N)c(O)c1
InChIInChI=1S/C9H13N3OS/c1-2-11-9(14)12-6-3-4-7(10)8(13)5-6/h3-5,13H,2,10H2,1H3,(H2,11,12,14)
InChIKeyFXHZWARUMLJRLA-UHFFFAOYSA-N
XLogP1.28
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-3-ethylthiourea
CID 122416783
1-ethyl-3-(4-fluoro-3-methylphenyl)thiourea
CID 115610649
1-(4-amino-3,5-dichlorophenyl)-3-ethylthiourea
CID 8625286
1-(3-chlorophenyl)-3-ethylthiourea
CID 872568
1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea
CID 115672650
1-[4-(diethylamino)phenyl]-3-ethylthiourea;hydrochloride
CID 117067446
[3-(ethylcarbamothioylamino)phenyl]boronic acid
CID 46738731
1-ethyl-3-(2-oxochromen-6-yl)thiourea
CID 44586620
1-ethyl-3-(4-isothiocyanatophenyl)thiourea
CID 89375970
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethylthiourea
CID 116509077
1-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-ethylthiourea
CID 8660488
5-(ethylcarbamothioylamino)benzene-1,3-dicarboxylic acid
CID 91687117

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea?
The IUPAC name of 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea (CID 166479239) is 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea?
The canonical SMILES for 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea is CCNC(=S)Nc1ccc(N)c(O)c1.
What is the InChIKey of 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea?
The InChIKey is FXHZWARUMLJRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-11-9(14)12-6-3-4-7(10)8(13)5-6/h3-5,13H,2,10H2,1H3,(H2,11,12,14).
What are the key properties of 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea?
1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea has a molecular weight of 211.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-hydroxyphenyl)-3-ethylthiourea is sourced from PubChem (CID 166479239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).