3-(3-bromophenyl)-2H-1,4-benzothiazine

C14H10BrNS — CID 135080087

IUPAC3-(3-bromophenyl)-2H-1,4-benzothiazine
SMILESBrc1cccc(C2=Nc3ccccc3SC2)c1
InChIInChI=1S/C14H10BrNS/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8H,9H2
InChIKeyABUIRQMJZYTVSZ-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.68
Rot. Bonds1

About 3-(3-bromophenyl)-2H-1,4-benzothiazine

3-(3-bromophenyl)-2H-1,4-benzothiazine (PubChem CID 135080087) has the molecular formula C14H10BrNS and a molecular weight of 304.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2H-1,4-benzothiazine
PubChem CID135080087
Molecular FormulaC14H10BrNS
Molecular Weight304.21 g/mol
Exact Mass302.97
IUPAC Name3-(3-bromophenyl)-2H-1,4-benzothiazine
SMILESBrc1cccc(C2=Nc3ccccc3SC2)c1
InChIInChI=1S/C14H10BrNS/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8H,9H2
InChIKeyABUIRQMJZYTVSZ-UHFFFAOYSA-N
XLogP4.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2H-1,4-benzothiazine?
The IUPAC name of 3-(3-bromophenyl)-2H-1,4-benzothiazine (CID 135080087) is 3-(3-bromophenyl)-2H-1,4-benzothiazine.
What is the SMILES notation for 3-(3-bromophenyl)-2H-1,4-benzothiazine?
The canonical SMILES for 3-(3-bromophenyl)-2H-1,4-benzothiazine is Brc1cccc(C2=Nc3ccccc3SC2)c1.
What is the InChIKey of 3-(3-bromophenyl)-2H-1,4-benzothiazine?
The InChIKey is ABUIRQMJZYTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNS/c15-11-5-3-4-10(8-11)13-9-17-14-7-2-1-6-12(14)16-13/h1-8H,9H2.
What are the key properties of 3-(3-bromophenyl)-2H-1,4-benzothiazine?
3-(3-bromophenyl)-2H-1,4-benzothiazine has a molecular weight of 304.21 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2H-1,4-benzothiazine is sourced from PubChem (CID 135080087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).