2-(4-bromophenyl)sulfanylethanimidamide

C8H9BrN2S — CID 21494996

IUPAC2-(4-bromophenyl)sulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyINBGQXUQXMPQII-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-bromophenyl)sulfanylethanimidamide

2-(4-bromophenyl)sulfanylethanimidamide (PubChem CID 21494996) has the molecular formula C8H9BrN2S and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylethanimidamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylethanimidamide
PubChem CID21494996
Molecular FormulaC8H9BrN2S
Molecular Weight245.15 g/mol
Exact Mass243.97
IUPAC Name2-(4-bromophenyl)sulfanylethanimidamide
SMILES[H]/N=C(\N)CSc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyINBGQXUQXMPQII-UHFFFAOYSA-N
XLogP2.48
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanylethanimidamide?
The IUPAC name of 2-(4-bromophenyl)sulfanylethanimidamide (CID 21494996) is 2-(4-bromophenyl)sulfanylethanimidamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylethanimidamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanylethanimidamide is [H]/N=C(\N)CSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanylethanimidamide?
The InChIKey is INBGQXUQXMPQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11).
What are the key properties of 2-(4-bromophenyl)sulfanylethanimidamide?
2-(4-bromophenyl)sulfanylethanimidamide has a molecular weight of 245.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylethanimidamide is sourced from PubChem (CID 21494996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).