3-bromo-10-butylphenothiazine

C16H16BrNS — CID 118645925

IUPAC3-bromo-10-butylphenothiazine
SMILESCCCCN1c2ccccc2Sc2cc(Br)ccc21
InChIInChI=1S/C16H16BrNS/c1-2-3-10-18-13-6-4-5-7-15(13)19-16-11-12(17)8-9-14(16)18/h4-9,11H,2-3,10H2,1H3
InChIKeyZUQBNCLXYXWDHN-UHFFFAOYSA-N
MW334.28 g/mol
LogP5.85
Rot. Bonds3

About 3-bromo-10-butylphenothiazine

3-bromo-10-butylphenothiazine (PubChem CID 118645925) has the molecular formula C16H16BrNS and a molecular weight of 334.28 g/mol. Its IUPAC name is 3-bromo-10-butylphenothiazine.

Molecular Properties

Compound Name3-bromo-10-butylphenothiazine
PubChem CID118645925
Molecular FormulaC16H16BrNS
Molecular Weight334.28 g/mol
Exact Mass333.02
IUPAC Name3-bromo-10-butylphenothiazine
SMILESCCCCN1c2ccccc2Sc2cc(Br)ccc21
InChIInChI=1S/C16H16BrNS/c1-2-3-10-18-13-6-4-5-7-15(13)19-16-11-12(17)8-9-14(16)18/h4-9,11H,2-3,10H2,1H3
InChIKeyZUQBNCLXYXWDHN-UHFFFAOYSA-N
XLogP5.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-butylphenothiazine;propane
CID 177020956
10-butylphenothiazine;hydrate;tetrahydroiodide
CID 173485866
10-octyl-3-(10-octylphenothiazin-3-yl)phenothiazine
CID 102519325
1-(3-bromophenothiazin-10-yl)-N-ethyl-N-methylpentan-3-amine
CID 70899587
10-hexyl-3-[6-(10-hexylphenothiazin-3-yl)pyridazin-3-yl]phenothiazine
CID 50917885
10-hexadecylphenothiazine-3-carboxamide
CID 102483865
3-[4-[4,6-bis[4-(10-nonylphenothiazin-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10-nonylphenothiazine
CID 132515128
3,7-dibromo-10-(2-ethylhexyl)phenothiazine
CID 71356385
1-bromo-10-dodecylphenothiazine
CID 175144859
10-pentyl-3-[(E)-2-[10-[(E)-2-(10-pentylphenothiazin-3-yl)ethenyl]anthracen-9-yl]ethenyl]phenothiazine
CID 102337094
10-(4-bromobutyl)phenothiazine
CID 14549797
1,2-dibromo-10-octylphenothiazine
CID 135122295

Frequently Asked Questions

What is the IUPAC name of 3-bromo-10-butylphenothiazine?
The IUPAC name of 3-bromo-10-butylphenothiazine (CID 118645925) is 3-bromo-10-butylphenothiazine.
What is the SMILES notation for 3-bromo-10-butylphenothiazine?
The canonical SMILES for 3-bromo-10-butylphenothiazine is CCCCN1c2ccccc2Sc2cc(Br)ccc21.
What is the InChIKey of 3-bromo-10-butylphenothiazine?
The InChIKey is ZUQBNCLXYXWDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNS/c1-2-3-10-18-13-6-4-5-7-15(13)19-16-11-12(17)8-9-14(16)18/h4-9,11H,2-3,10H2,1H3.
What are the key properties of 3-bromo-10-butylphenothiazine?
3-bromo-10-butylphenothiazine has a molecular weight of 334.28 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10-butylphenothiazine is sourced from PubChem (CID 118645925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).