1-hydroxy-3-(4-methylphenyl)thiourea

C8H10N2OS — CID 87306500

IUPAC1-hydroxy-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NO)cc1
InChIInChI=1S/C8H10N2OS/c1-6-2-4-7(5-3-6)9-8(12)10-11/h2-5,11H,1H3,(H2,9,10,12)
InChIKeyNUEZKWKBIWWZML-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.67
Rot. Bonds1

About 1-hydroxy-3-(4-methylphenyl)thiourea

1-hydroxy-3-(4-methylphenyl)thiourea (PubChem CID 87306500) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 1-hydroxy-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-hydroxy-3-(4-methylphenyl)thiourea
PubChem CID87306500
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name1-hydroxy-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NO)cc1
InChIInChI=1S/C8H10N2OS/c1-6-2-4-7(5-3-6)9-8(12)10-11/h2-5,11H,1H3,(H2,9,10,12)
InChIKeyNUEZKWKBIWWZML-UHFFFAOYSA-N
XLogP1.67
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(4-methylphenyl)carbamothioylamino]thiourea
CID 8001100
1-(dimethoxymethyl)-3-(4-methylphenyl)thiourea
CID 3896761
1-(4-methylphenyl)-3-(propan-2-ylideneamino)thiourea
CID 904468
sodium 1-cyano-3-(4-methylphenyl)thiourea
CID 18351918
1-(4-methylanilino)-3-phenylthiourea
CID 3293751
1-[(2R)-butan-2-yl]-3-(4-methylphenyl)thiourea
CID 8619656
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea
CID 53488583
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
1-(4-methylphenyl)-3-(propylcarbamothioylamino)thiourea
CID 7988089
N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678459
1-(4-methylphenyl)-3-(2-sulfanylphenyl)thiourea
CID 46398212
2-bromo-N-(4-methylphenyl)ethanethioamide
CID 22464911

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-hydroxy-3-(4-methylphenyl)thiourea (CID 87306500) is 1-hydroxy-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-hydroxy-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-hydroxy-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)NO)cc1.
What is the InChIKey of 1-hydroxy-3-(4-methylphenyl)thiourea?
The InChIKey is NUEZKWKBIWWZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-2-4-7(5-3-6)9-8(12)10-11/h2-5,11H,1H3,(H2,9,10,12).
What are the key properties of 1-hydroxy-3-(4-methylphenyl)thiourea?
1-hydroxy-3-(4-methylphenyl)thiourea has a molecular weight of 182.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 87306500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).