(Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine

C8H8BrNS — CID 58368772

IUPAC(Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C/C)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNS/c1-2-3-6(10)7-4-5-8(9)11-7/h2-5,10H,1H3/b3-2-,10-6+
InChIKeyLOXAQSHRWGXFRB-BWFNYKPYSA-N
MW230.13 g/mol
LogP3.45
Rot. Bonds2

About (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine

(Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine (PubChem CID 58368772) has the molecular formula C8H8BrNS and a molecular weight of 230.13 g/mol. Its IUPAC name is (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine
PubChem CID58368772
Molecular FormulaC8H8BrNS
Molecular Weight230.13 g/mol
Exact Mass228.96
IUPAC Name(Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine
SMILES[H]/N=C(\C=C/C)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNS/c1-2-3-6(10)7-4-5-8(9)11-7/h2-5,10H,1H3/b3-2-,10-6+
InChIKeyLOXAQSHRWGXFRB-BWFNYKPYSA-N
XLogP3.45
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 53.45
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 (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine?
The IUPAC name of (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine (CID 58368772) is (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine is [H]/N=C(\C=C/C)c1ccc(Br)s1.
What is the InChIKey of (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine?
The InChIKey is LOXAQSHRWGXFRB-BWFNYKPYSA-N. The full InChI is InChI=1S/C8H8BrNS/c1-2-3-6(10)7-4-5-8(9)11-7/h2-5,10H,1H3/b3-2-,10-6+.
What are the key properties of (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine?
(Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine has a molecular weight of 230.13 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5-bromothiophen-2-yl)but-2-en-1-imine is sourced from PubChem (CID 58368772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).