2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine

C12H12BrNS — CID 131877950

IUPAC2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine
SMILESBrc1cccc(C=CC2=NCCCS2)c1
InChIInChI=1S/C12H12BrNS/c13-11-4-1-3-10(9-11)5-6-12-14-7-2-8-15-12/h1,3-6,9H,2,7-8H2
InChIKeyGPTUJHJZGLEZTP-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.00
Rot. Bonds2

About 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine

2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine (PubChem CID 131877950) has the molecular formula C12H12BrNS and a molecular weight of 282.21 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine
PubChem CID131877950
Molecular FormulaC12H12BrNS
Molecular Weight282.21 g/mol
Exact Mass280.99
IUPAC Name2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine
SMILESBrc1cccc(C=CC2=NCCCS2)c1
InChIInChI=1S/C12H12BrNS/c13-11-4-1-3-10(9-11)5-6-12-14-7-2-8-15-12/h1,3-6,9H,2,7-8H2
InChIKeyGPTUJHJZGLEZTP-UHFFFAOYSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine (CID 131877950) is 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine is Brc1cccc(C=CC2=NCCCS2)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is GPTUJHJZGLEZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNS/c13-11-4-1-3-10(9-11)5-6-12-14-7-2-8-15-12/h1,3-6,9H,2,7-8H2.
What are the key properties of 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine?
2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 282.21 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 131877950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).