(2,4-dichlorophenyl)methylthiourea

C8H8Cl2N2S — CID 5373591

IUPAC(2,4-dichlorophenyl)methylthiourea
SMILESNC(=S)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-6-2-1-5(7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyFMSBTGCVHZJGEK-UHFFFAOYSA-N
MW235.14 g/mol
LogP2.33
Rot. Bonds2

About (2,4-dichlorophenyl)methylthiourea

(2,4-dichlorophenyl)methylthiourea (PubChem CID 5373591) has the molecular formula C8H8Cl2N2S and a molecular weight of 235.14 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methylthiourea.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methylthiourea
PubChem CID5373591
Molecular FormulaC8H8Cl2N2S
Molecular Weight235.14 g/mol
Exact Mass233.98
IUPAC Name(2,4-dichlorophenyl)methylthiourea
SMILESNC(=S)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl2N2S/c9-6-2-1-5(7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13)
InChIKeyFMSBTGCVHZJGEK-UHFFFAOYSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.14
LogP ≤ 52.33
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 (2,4-dichlorophenyl)methylthiourea?
The IUPAC name of (2,4-dichlorophenyl)methylthiourea (CID 5373591) is (2,4-dichlorophenyl)methylthiourea.
What is the SMILES notation for (2,4-dichlorophenyl)methylthiourea?
The canonical SMILES for (2,4-dichlorophenyl)methylthiourea is NC(=S)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methylthiourea?
The InChIKey is FMSBTGCVHZJGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2S/c9-6-2-1-5(7(10)3-6)4-12-8(11)13/h1-3H,4H2,(H3,11,12,13).
What are the key properties of (2,4-dichlorophenyl)methylthiourea?
(2,4-dichlorophenyl)methylthiourea has a molecular weight of 235.14 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methylthiourea is sourced from PubChem (CID 5373591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).