(2,4-dibromo-6-methoxyphenyl)thiourea

C8H8Br2N2OS — CID 138682629

IUPAC(2,4-dibromo-6-methoxyphenyl)thiourea
SMILESCOc1cc(Br)cc(Br)c1NC(N)=S
InChIInChI=1S/C8H8Br2N2OS/c1-13-6-3-4(9)2-5(10)7(6)12-8(11)14/h2-3H,1H3,(H3,11,12,14)
InChIKeyOTSPEWXENOQWCI-UHFFFAOYSA-N
MW340.04 g/mol
LogP2.88
Rot. Bonds2

About (2,4-dibromo-6-methoxyphenyl)thiourea

(2,4-dibromo-6-methoxyphenyl)thiourea (PubChem CID 138682629) has the molecular formula C8H8Br2N2OS and a molecular weight of 340.04 g/mol. Its IUPAC name is (2,4-dibromo-6-methoxyphenyl)thiourea.

Molecular Properties

Compound Name(2,4-dibromo-6-methoxyphenyl)thiourea
PubChem CID138682629
Molecular FormulaC8H8Br2N2OS
Molecular Weight340.04 g/mol
Exact Mass337.87
IUPAC Name(2,4-dibromo-6-methoxyphenyl)thiourea
SMILESCOc1cc(Br)cc(Br)c1NC(N)=S
InChIInChI=1S/C8H8Br2N2OS/c1-13-6-3-4(9)2-5(10)7(6)12-8(11)14/h2-3H,1H3,(H3,11,12,14)
InChIKeyOTSPEWXENOQWCI-UHFFFAOYSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.04
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-dibromo-6-methoxyphenyl)thiourea?
The IUPAC name of (2,4-dibromo-6-methoxyphenyl)thiourea (CID 138682629) is (2,4-dibromo-6-methoxyphenyl)thiourea.
What is the SMILES notation for (2,4-dibromo-6-methoxyphenyl)thiourea?
The canonical SMILES for (2,4-dibromo-6-methoxyphenyl)thiourea is COc1cc(Br)cc(Br)c1NC(N)=S.
What is the InChIKey of (2,4-dibromo-6-methoxyphenyl)thiourea?
The InChIKey is OTSPEWXENOQWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2OS/c1-13-6-3-4(9)2-5(10)7(6)12-8(11)14/h2-3H,1H3,(H3,11,12,14).
What are the key properties of (2,4-dibromo-6-methoxyphenyl)thiourea?
(2,4-dibromo-6-methoxyphenyl)thiourea has a molecular weight of 340.04 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromo-6-methoxyphenyl)thiourea is sourced from PubChem (CID 138682629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).