2-(2-bromophenyl)-4-methyl-1,3-thiazinane

C11H14BrNS — CID 66233102

IUPAC2-(2-bromophenyl)-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2ccccc2Br)N1
InChIInChI=1S/C11H14BrNS/c1-8-6-7-14-11(13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3
InChIKeyYCATXCAUGREMGD-UHFFFAOYSA-N
MW272.21 g/mol
LogP3.56
Rot. Bonds1

About 2-(2-bromophenyl)-4-methyl-1,3-thiazinane

2-(2-bromophenyl)-4-methyl-1,3-thiazinane (PubChem CID 66233102) has the molecular formula C11H14BrNS and a molecular weight of 272.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-methyl-1,3-thiazinane
PubChem CID66233102
Molecular FormulaC11H14BrNS
Molecular Weight272.21 g/mol
Exact Mass271.00
IUPAC Name2-(2-bromophenyl)-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2ccccc2Br)N1
InChIInChI=1S/C11H14BrNS/c1-8-6-7-14-11(13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3
InChIKeyYCATXCAUGREMGD-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-methyl-1,3-thiazinane?
The IUPAC name of 2-(2-bromophenyl)-4-methyl-1,3-thiazinane (CID 66233102) is 2-(2-bromophenyl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(2-bromophenyl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-(2-bromophenyl)-4-methyl-1,3-thiazinane is CC1CCSC(c2ccccc2Br)N1.
What is the InChIKey of 2-(2-bromophenyl)-4-methyl-1,3-thiazinane?
The InChIKey is YCATXCAUGREMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNS/c1-8-6-7-14-11(13-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of 2-(2-bromophenyl)-4-methyl-1,3-thiazinane?
2-(2-bromophenyl)-4-methyl-1,3-thiazinane has a molecular weight of 272.21 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-methyl-1,3-thiazinane is sourced from PubChem (CID 66233102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).