3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea

C12H18N2OS — CID 2377881

IUPAC3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea
SMILESCc1ccc(C)c(NC(=S)N(C)CCO)c1
InChIInChI=1S/C12H18N2OS/c1-9-4-5-10(2)11(8-9)13-12(16)14(3)6-7-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,16)
InChIKeySGDWEIUZIMCLCK-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.92
Rot. Bonds3

About 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea

3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea (PubChem CID 2377881) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea
PubChem CID2377881
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea
SMILESCc1ccc(C)c(NC(=S)N(C)CCO)c1
InChIInChI=1S/C12H18N2OS/c1-9-4-5-10(2)11(8-9)13-12(16)14(3)6-7-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,16)
InChIKeySGDWEIUZIMCLCK-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methiuron
CID 3034319
1-(2-Hydroxyethyl)-3-(2,4-xylyl)-2-thiourea
CID 1810978
1-Benzyl-3-(2,5-dimethylphenyl)thiourea
CID 820144
N-(2-hydroxyethyl)-N'-(2-methylphenyl)thiourea
CID 2177721
1-(2-Hydroxyethyl)-3-phenyl-2-thiourea
CID 1549562
1,1-Dimethyl-3-(ortho-tolyl)-2-thiourea
CID 4071901
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
1-(2-Hydroxy-ethyl)-3-phenyl-1-p-tolyl-thiourea
CID 820136
N-(2,3-dimethylphenyl)-4-hydroxypiperidine-1-carbothioamide
CID 972502
1-(2-Hydroxyethyl)-N-(4-methylphenyl)-hydrazinecarbothioamide
CID 2366366
1-Benzyl-3-(4-fluorophenyl)-1-(2-hydroxyethyl)thiourea
CID 2442668
1-(2,5-Dimethylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 2731414

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea?
The IUPAC name of 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea (CID 2377881) is 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea?
The canonical SMILES for 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea is Cc1ccc(C)c(NC(=S)N(C)CCO)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea?
The InChIKey is SGDWEIUZIMCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-4-5-10(2)11(8-9)13-12(16)14(3)6-7-15/h4-5,8,15H,6-7H2,1-3H3,(H,13,16).
What are the key properties of 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea?
3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea has a molecular weight of 238.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea is sourced from PubChem (CID 2377881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).