(8-bromoquinoxalin-6-yl)thiourea

C9H7BrN4S — CID 101483267

IUPAC(8-bromoquinoxalin-6-yl)thiourea
SMILESNC(=S)Nc1cc(Br)c2nccnc2c1
InChIInChI=1S/C9H7BrN4S/c10-6-3-5(14-9(11)15)4-7-8(6)13-2-1-12-7/h1-4H,(H3,11,14,15)
InChIKeyPPTZVIFGUBYNOP-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.05
Rot. Bonds1

About (8-bromoquinoxalin-6-yl)thiourea

(8-bromoquinoxalin-6-yl)thiourea (PubChem CID 101483267) has the molecular formula C9H7BrN4S and a molecular weight of 283.15 g/mol. Its IUPAC name is (8-bromoquinoxalin-6-yl)thiourea.

Molecular Properties

Compound Name(8-bromoquinoxalin-6-yl)thiourea
PubChem CID101483267
Molecular FormulaC9H7BrN4S
Molecular Weight283.15 g/mol
Exact Mass281.96
IUPAC Name(8-bromoquinoxalin-6-yl)thiourea
SMILESNC(=S)Nc1cc(Br)c2nccnc2c1
InChIInChI=1S/C9H7BrN4S/c10-6-3-5(14-9(11)15)4-7-8(6)13-2-1-12-7/h1-4H,(H3,11,14,15)
InChIKeyPPTZVIFGUBYNOP-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (8-bromoquinoxalin-6-yl)thiourea?
The IUPAC name of (8-bromoquinoxalin-6-yl)thiourea (CID 101483267) is (8-bromoquinoxalin-6-yl)thiourea.
What is the SMILES notation for (8-bromoquinoxalin-6-yl)thiourea?
The canonical SMILES for (8-bromoquinoxalin-6-yl)thiourea is NC(=S)Nc1cc(Br)c2nccnc2c1.
What is the InChIKey of (8-bromoquinoxalin-6-yl)thiourea?
The InChIKey is PPTZVIFGUBYNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4S/c10-6-3-5(14-9(11)15)4-7-8(6)13-2-1-12-7/h1-4H,(H3,11,14,15).
What are the key properties of (8-bromoquinoxalin-6-yl)thiourea?
(8-bromoquinoxalin-6-yl)thiourea has a molecular weight of 283.15 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromoquinoxalin-6-yl)thiourea is sourced from PubChem (CID 101483267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).