1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea

C9H10Cl2N2OS — CID 2729996

IUPAC1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N2OS/c10-6-3-7(11)5-8(4-6)13-9(15)12-1-2-14/h3-5,14H,1-2H2,(H2,12,13,15)
InChIKeyQNVVBTYPIVOFFV-UHFFFAOYSA-N
MW265.16 g/mol
LogP2.27
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea

1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea (PubChem CID 2729996) has the molecular formula C9H10Cl2N2OS and a molecular weight of 265.16 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea
PubChem CID2729996
Molecular FormulaC9H10Cl2N2OS
Molecular Weight265.16 g/mol
Exact Mass263.99
IUPAC Name1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2N2OS/c10-6-3-7(11)5-8(4-6)13-9(15)12-1-2-14/h3-5,14H,1-2H2,(H2,12,13,15)
InChIKeyQNVVBTYPIVOFFV-UHFFFAOYSA-N
XLogP2.27
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.16
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea (CID 2729996) is 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea is OCCNC(=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea?
The InChIKey is QNVVBTYPIVOFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS/c10-6-3-7(11)5-8(4-6)13-9(15)12-1-2-14/h3-5,14H,1-2H2,(H2,12,13,15).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea?
1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea has a molecular weight of 265.16 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 2729996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).