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

C9H12N2OS — CID 131089096

IUPAC1-(2-hydroxy-3-methylphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1cccc(C)c1O
InChIInChI=1S/C9H12N2OS/c1-6-4-3-5-7(8(6)12)11-9(13)10-2/h3-5,12H,1-2H3,(H2,10,11,13)
InChIKeyYQVVQCZCTVQAEC-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.62
Rot. Bonds1

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

1-(2-hydroxy-3-methylphenyl)-3-methylthiourea (PubChem CID 131089096) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylphenyl)-3-methylthiourea
PubChem CID131089096
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(2-hydroxy-3-methylphenyl)-3-methylthiourea
SMILESCNC(=S)Nc1cccc(C)c1O
InChIInChI=1S/C9H12N2OS/c1-6-4-3-5-7(8(6)12)11-9(13)10-2/h3-5,12H,1-2H3,(H2,10,11,13)
InChIKeyYQVVQCZCTVQAEC-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

ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934
1-methyl-3-[2-methyl-3-(methylcarbamothioylamino)phenyl]thiourea
CID 4276839
1-(2-bromo-3-methylphenyl)-3-methylthiourea
CID 89328115
1-(3-bromo-2-methylphenyl)-3-methylthiourea
CID 103638933
1-(3-chloro-2-methylphenyl)-3-methylthiourea
CID 976431
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-methyl-3-[2-methyl-4-[3-methyl-4-(methylcarbamothioylamino)phenyl]phenyl]thiourea
CID 5073311
1-(2-hydroxy-5-methylphenyl)-3-methylthiourea
CID 12751497
1-(5-chloro-2-methylphenyl)-3-methylthiourea
CID 2252731
2-bromo-N-(2-hydroxy-3-methylphenyl)-3-methylbutanamide
CID 14234670
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
1-methyl-3-[2,4,6-trimethyl-3-(methylcarbamothioylamino)phenyl]thiourea
CID 3682558

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea?
The IUPAC name of 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea (CID 131089096) is 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea.
What is the SMILES notation for 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea?
The canonical SMILES for 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea is CNC(=S)Nc1cccc(C)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea?
The InChIKey is YQVVQCZCTVQAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-4-3-5-7(8(6)12)11-9(13)10-2/h3-5,12H,1-2H3,(H2,10,11,13).
What are the key properties of 1-(2-hydroxy-3-methylphenyl)-3-methylthiourea?
1-(2-hydroxy-3-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-3-methylphenyl)-3-methylthiourea is sourced from PubChem (CID 131089096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).