1-(2,4-dichlorophenyl)-3-methylthiourea

C8H8Cl2N2S — CID 3310564

IUPAC1-(2,4-dichlorophenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyDTKJSIGFJFXNFE-UHFFFAOYSA-N
MW235.14 g/mol
LogP2.91
Rot. Bonds1

About 1-(2,4-dichlorophenyl)-3-methylthiourea

1-(2,4-dichlorophenyl)-3-methylthiourea (PubChem CID 3310564) has the molecular formula C8H8Cl2N2S and a molecular weight of 235.14 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-methylthiourea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-methylthiourea
PubChem CID3310564
Molecular FormulaC8H8Cl2N2S
Molecular Weight235.14 g/mol
Exact Mass233.98
IUPAC Name1-(2,4-dichlorophenyl)-3-methylthiourea
SMILESCNC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKeyDTKJSIGFJFXNFE-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 52.91
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

1-(5-chloro-2-methylphenyl)-3-methylthiourea
CID 2252731
5-chloro-2-(methylcarbamothioylamino)benzoic acid
CID 91687135
1-(2,4-dichlorophenyl)-3-propylthiourea
CID 2281624
1-(2,4-dichlorophenyl)-3-phenylthiourea
CID 800229
3-(2,4-dichlorophenyl)-1-[(2,4-dichlorophenyl)carbamothioylamino]-1-methylthiourea
CID 2370185
1-(2,4-dichlorophenyl)-3-(3,3-dimethylbutan-2-yl)thiourea
CID 19676369
1-(2,4-dichlorophenyl)-3-[2,6-di(propan-2-yl)phenyl]thiourea
CID 19687856
1-(2,4-dichlorophenyl)-3-octylthiourea
CID 17262672
2,4-dichloro-N-methylaniline
CID 2800935
1-(2,4-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19629930
N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
CID 4925626
1-(2,4-dichlorophenyl)-3-[2-(diethylamino)ethyl]thiourea
CID 4572948

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-methylthiourea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-methylthiourea (CID 3310564) is 1-(2,4-dichlorophenyl)-3-methylthiourea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-methylthiourea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-methylthiourea is CNC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-methylthiourea?
The InChIKey is DTKJSIGFJFXNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2S/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 1-(2,4-dichlorophenyl)-3-methylthiourea?
1-(2,4-dichlorophenyl)-3-methylthiourea has a molecular weight of 235.14 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-methylthiourea is sourced from PubChem (CID 3310564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).