(2,6-dichlorophenyl)thiourea

C7H6Cl2N2S — CID 722776

IUPAC(2,6-dichlorophenyl)thiourea
SMILESNC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C7H6Cl2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyKUQHRGMPBWZVQR-UHFFFAOYSA-N
MW221.11 g/mol
LogP2.65
Rot. Bonds1

About (2,6-dichlorophenyl)thiourea

(2,6-dichlorophenyl)thiourea (PubChem CID 722776) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is (2,6-dichlorophenyl)thiourea.

Molecular Properties

Compound Name(2,6-dichlorophenyl)thiourea
PubChem CID722776
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name(2,6-dichlorophenyl)thiourea
SMILESNC(=S)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C7H6Cl2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyKUQHRGMPBWZVQR-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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Related Compounds

2-(2,6-dichloroanilino)-2-sulfanylideneacetamide
CID 98040700
[2-chloro-6-(trifluoromethoxy)phenyl]thiourea
CID 169357426
(2,4,6-trichlorophenyl)thiourea
CID 2731098
N-[(2,6-dichlorophenyl)carbamothioyl]acetamide
CID 12952276
5-carbamothioyl-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 65469584
(3-chlorophenyl)thiourea
CID 2734794
1-(2,6-dichlorophenyl)-3-(2-methoxyethyl)thiourea
CID 8657463
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
methyl N-[(1R)-2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]carbamate
CID 2301609
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
1-(2,6-dichlorophenyl)-3-methylurea
CID 3018146
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)thiourea?
The IUPAC name of (2,6-dichlorophenyl)thiourea (CID 722776) is (2,6-dichlorophenyl)thiourea.
What is the SMILES notation for (2,6-dichlorophenyl)thiourea?
The canonical SMILES for (2,6-dichlorophenyl)thiourea is NC(=S)Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)thiourea?
The InChIKey is KUQHRGMPBWZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (2,6-dichlorophenyl)thiourea?
(2,6-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 (2,6-dichlorophenyl)thiourea is sourced from PubChem (CID 722776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).