(2,5-dichlorophenyl)thiourea

C7H6Cl2N2S — CID 2731095

IUPAC(2,5-dichlorophenyl)thiourea
SMILESNC(=S)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyUQCOANNCPUOZNW-UHFFFAOYSA-N
MW221.11 g/mol
LogP2.65
Rot. Bonds1

About (2,5-dichlorophenyl)thiourea

(2,5-dichlorophenyl)thiourea (PubChem CID 2731095) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is (2,5-dichlorophenyl)thiourea.

Molecular Properties

Compound Name(2,5-dichlorophenyl)thiourea
PubChem CID2731095
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name(2,5-dichlorophenyl)thiourea
SMILESNC(=S)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyUQCOANNCPUOZNW-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)thiourea?
The IUPAC name of (2,5-dichlorophenyl)thiourea (CID 2731095) is (2,5-dichlorophenyl)thiourea.
What is the SMILES notation for (2,5-dichlorophenyl)thiourea?
The canonical SMILES for (2,5-dichlorophenyl)thiourea is NC(=S)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)thiourea?
The InChIKey is UQCOANNCPUOZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (2,5-dichlorophenyl)thiourea?
(2,5-dichlorophenyl)thiourea has a molecular weight of 221.11 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)thiourea is sourced from PubChem (CID 2731095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).