(4-bromothiophen-2-yl)methanimine

C5H4BrNS — CID 170151814

IUPAC(4-bromothiophen-2-yl)methanimine
SMILES[H]/N=C/c1cc(Br)cs1
InChIInChI=1S/C5H4BrNS/c6-4-1-5(2-7)8-3-4/h1-3,7H/b7-2+
InChIKeyDFBUTDFXYWNFBW-FARCUNLSSA-N
MW190.07 g/mol
LogP2.51
Rot. Bonds1

About (4-bromothiophen-2-yl)methanimine

(4-bromothiophen-2-yl)methanimine (PubChem CID 170151814) has the molecular formula C5H4BrNS and a molecular weight of 190.07 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)methanimine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)methanimine
PubChem CID170151814
Molecular FormulaC5H4BrNS
Molecular Weight190.07 g/mol
Exact Mass188.92
IUPAC Name(4-bromothiophen-2-yl)methanimine
SMILES[H]/N=C/c1cc(Br)cs1
InChIInChI=1S/C5H4BrNS/c6-4-1-5(2-7)8-3-4/h1-3,7H/b7-2+
InChIKeyDFBUTDFXYWNFBW-FARCUNLSSA-N
XLogP2.51
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)methanimine?
The IUPAC name of (4-bromothiophen-2-yl)methanimine (CID 170151814) is (4-bromothiophen-2-yl)methanimine.
What is the SMILES notation for (4-bromothiophen-2-yl)methanimine?
The canonical SMILES for (4-bromothiophen-2-yl)methanimine is [H]/N=C/c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)methanimine?
The InChIKey is DFBUTDFXYWNFBW-FARCUNLSSA-N. The full InChI is InChI=1S/C5H4BrNS/c6-4-1-5(2-7)8-3-4/h1-3,7H/b7-2+.
What are the key properties of (4-bromothiophen-2-yl)methanimine?
(4-bromothiophen-2-yl)methanimine has a molecular weight of 190.07 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)methanimine is sourced from PubChem (CID 170151814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).