2-(5-bromofuran-2-yl)-1,3-thiazinane

C8H10BrNOS — CID 66218265

IUPAC2-(5-bromofuran-2-yl)-1,3-thiazinane
SMILESBrc1ccc(C2NCCCS2)o1
InChIInChI=1S/C8H10BrNOS/c9-7-3-2-6(11-7)8-10-4-1-5-12-8/h2-3,8,10H,1,4-5H2
InChIKeyDHXHZAKUHOZGFL-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.77
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-1,3-thiazinane

2-(5-bromofuran-2-yl)-1,3-thiazinane (PubChem CID 66218265) has the molecular formula C8H10BrNOS and a molecular weight of 248.14 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-1,3-thiazinane.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-1,3-thiazinane
PubChem CID66218265
Molecular FormulaC8H10BrNOS
Molecular Weight248.14 g/mol
Exact Mass246.97
IUPAC Name2-(5-bromofuran-2-yl)-1,3-thiazinane
SMILESBrc1ccc(C2NCCCS2)o1
InChIInChI=1S/C8H10BrNOS/c9-7-3-2-6(11-7)8-10-4-1-5-12-8/h2-3,8,10H,1,4-5H2
InChIKeyDHXHZAKUHOZGFL-UHFFFAOYSA-N
XLogP2.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-1,3-thiazinane?
The IUPAC name of 2-(5-bromofuran-2-yl)-1,3-thiazinane (CID 66218265) is 2-(5-bromofuran-2-yl)-1,3-thiazinane.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-1,3-thiazinane?
The canonical SMILES for 2-(5-bromofuran-2-yl)-1,3-thiazinane is Brc1ccc(C2NCCCS2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-1,3-thiazinane?
The InChIKey is DHXHZAKUHOZGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNOS/c9-7-3-2-6(11-7)8-10-4-1-5-12-8/h2-3,8,10H,1,4-5H2.
What are the key properties of 2-(5-bromofuran-2-yl)-1,3-thiazinane?
2-(5-bromofuran-2-yl)-1,3-thiazinane has a molecular weight of 248.14 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-1,3-thiazinane is sourced from PubChem (CID 66218265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).