1-(2-hydroxy-5-methylphenyl)-3-methylthiourea

C9H12N2OS — CID 12751497

IUPAC1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1cc(C)ccc1O
InChIInChI=1S/C9H12N2OS/c1-6-3-4-8(12)7(5-6)11-9(13)10-2/h3-5,12H,1-2H3,(H2,10,11,13)
InChIKeyIHCRLJCXMAOWHH-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.62
Rot. Bonds1

About 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea

1-(2-hydroxy-5-methylphenyl)-3-methylthiourea (PubChem CID 12751497) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
PubChem CID12751497
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1cc(C)ccc1O
InChIInChI=1S/C9H12N2OS/c1-6-3-4-8(12)7(5-6)11-9(13)10-2/h3-5,12H,1-2H3,(H2,10,11,13)
InChIKeyIHCRLJCXMAOWHH-UHFFFAOYSA-N
XLogP1.62
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 17285028
1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 910357
1-(2-bromo-4-methylphenyl)-3-methylthiourea
CID 7941197
1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea
CID 17285016
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 884329
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
1-methyl-3-[2-methyl-3-(methylcarbamothioylamino)phenyl]thiourea
CID 4276839
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea (CID 12751497) is 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea is CNC(=S)Nc1cc(C)ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea?
The InChIKey is IHCRLJCXMAOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-3-4-8(12)7(5-6)11-9(13)10-2/h3-5,12H,1-2H3,(H2,10,11,13).
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea?
1-(2-hydroxy-5-methylphenyl)-3-methylthiourea has a molecular weight of 196.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-3-methylthiourea is sourced from PubChem (CID 12751497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).