1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea

C11H16N2OS — CID 2731006

IUPAC1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea
SMILESCc1cccc(C)c1NC(=S)NCCO
InChIInChI=1S/C11H16N2OS/c1-8-4-3-5-9(2)10(8)13-11(15)12-6-7-14/h3-5,14H,6-7H2,1-2H3,(H2,12,13,15)
InChIKeyJYWDCHNCNXURHP-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.58
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea

1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea (PubChem CID 2731006) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea
PubChem CID2731006
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea
SMILESCc1cccc(C)c1NC(=S)NCCO
InChIInChI=1S/C11H16N2OS/c1-8-4-3-5-9(2)10(8)13-11(15)12-6-7-14/h3-5,14H,6-7H2,1-2H3,(H2,12,13,15)
InChIKeyJYWDCHNCNXURHP-UHFFFAOYSA-N
XLogP1.58
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylphenyl)thiourea
CID 23855604
1-(2,6-dimethylphenyl)-3-prop-2-enylthiourea
CID 5200101
2-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]ethyl-dimethylazanium
CID 8616850
2-[2-(2,6-dimethylphenyl)hydrazinyl]ethanol
CID 13200571
1-(2,6-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2373826
2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8790877
N-(2,6-dimethylphenyl)-2-(methylcarbamothioylamino)acetamide
CID 8790815
1-(2-ethyl-6-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8559751
1-(2-chloro-6-methylphenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2747452
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
1-(4-bromophenyl)-3-(2,6-dimethylphenyl)thiourea
CID 3652631

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea (CID 2731006) is 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea is Cc1cccc(C)c1NC(=S)NCCO.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea?
The InChIKey is JYWDCHNCNXURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-4-3-5-9(2)10(8)13-11(15)12-6-7-14/h3-5,14H,6-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea?
1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea has a molecular weight of 224.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 2731006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).