5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide

C11H13BrClNOS — CID 82781806

IUPAC5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CNC(c2ccc(Br)cc2Cl)CS1=O
InChIInChI=1S/C11H13BrClNOS/c1-7-5-14-11(6-16(7)15)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyJRHMHQHFUCSHSZ-UHFFFAOYSA-N
MW322.66 g/mol
LogP2.88
Rot. Bonds1

About 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide

5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide (PubChem CID 82781806) has the molecular formula C11H13BrClNOS and a molecular weight of 322.66 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide
PubChem CID82781806
Molecular FormulaC11H13BrClNOS
Molecular Weight322.66 g/mol
Exact Mass320.96
IUPAC Name5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide
SMILESCC1CNC(c2ccc(Br)cc2Cl)CS1=O
InChIInChI=1S/C11H13BrClNOS/c1-7-5-14-11(6-16(7)15)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyJRHMHQHFUCSHSZ-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-chlorophenyl)-1,4-thiazepane 1-oxide
CID 82780500
3-(4-bromo-2-chlorophenyl)-6-methyl-1,4-thiazepane
CID 82780735
(2S)-2-(4-bromo-2-chlorophenyl)azetidine
CID 130624540
3-(4-bromo-2-chlorophenyl)-5-ethyl-1,4-thiazinane 1-oxide
CID 82781098
3-(5-bromo-2-fluorophenyl)-7-methyl-1,4-thiazepane 1-oxide
CID 82972936
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
3-(4-bromo-2-chlorophenyl)-5-methyl-1,4-thiazepane
CID 82780619
2-(4-bromo-2-chlorophenyl)-6-methylmorpholine
CID 82779010
(4S)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one
CID 131592741
(4R)-4-(4-bromo-2-chlorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184995
2-(4-bromo-2-chlorophenyl)imidazolidin-4-one
CID 131067531
3-(2-bromophenyl)-7-methyl-1,4-thiazepane 1-oxide
CID 66227384

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide (CID 82781806) is 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide is CC1CNC(c2ccc(Br)cc2Cl)CS1=O.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide?
The InChIKey is JRHMHQHFUCSHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNOS/c1-7-5-14-11(6-16(7)15)9-3-2-8(12)4-10(9)13/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide?
5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide has a molecular weight of 322.66 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)-2-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 82781806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).