1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea

C11H16N2O2S — CID 17285016

IUPAC1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cc(C)ccc1O
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-10(14)9(7-8)13-11(16)12-5-6-15-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,16)
InChIKeyRLYDWNTWFWLGAO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.63
Rot. Bonds4

About 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea

1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea (PubChem CID 17285016) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea
PubChem CID17285016
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cc(C)ccc1O
InChIInChI=1S/C11H16N2O2S/c1-8-3-4-10(14)9(7-8)13-11(16)12-5-6-15-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,16)
InChIKeyRLYDWNTWFWLGAO-UHFFFAOYSA-N
XLogP1.63
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
CID 124749200
1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
CID 12751497
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(2-methoxy-5-methylphenyl)-3-propylthiourea
CID 8627484
1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135612508
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 884329
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
1-butyl-3-(2-methoxy-5-methylphenyl)thiourea
CID 8627468
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
CID 108504969
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-iodo-4-methylbenzamide
CID 5121233
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-phenylpropanamide
CID 916916
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5172592

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea (CID 17285016) is 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)Nc1cc(C)ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea?
The InChIKey is RLYDWNTWFWLGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-3-4-10(14)9(7-8)13-11(16)12-5-6-15-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea?
1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea has a molecular weight of 240.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 17285016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).