3-bromo-10-methylphenothiazine

C13H10BrNS — CID 638529

IUPAC3-bromo-10-methylphenothiazine
SMILESCN1c2ccccc2Sc2cc(Br)ccc21
InChIInChI=1S/C13H10BrNS/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,1H3
InChIKeyJRCGDSYBAVUGFS-UHFFFAOYSA-N
MW292.20 g/mol
LogP4.68
Rot. Bonds

About 3-bromo-10-methylphenothiazine

3-bromo-10-methylphenothiazine (PubChem CID 638529) has the molecular formula C13H10BrNS and a molecular weight of 292.20 g/mol. Its IUPAC name is 3-bromo-10-methylphenothiazine.

Molecular Properties

Compound Name3-bromo-10-methylphenothiazine
PubChem CID638529
Molecular FormulaC13H10BrNS
Molecular Weight292.20 g/mol
Exact Mass290.97
IUPAC Name3-bromo-10-methylphenothiazine
SMILESCN1c2ccccc2Sc2cc(Br)ccc21
InChIInChI=1S/C13H10BrNS/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,1H3
InChIKeyJRCGDSYBAVUGFS-UHFFFAOYSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-Methylphenothiazine
CID 71015
Phenothiazine, 2-bromo-10-(2-(1-methyl-2-piperidyl)ethyl)-
CID 99135
N-Ethylphenothiazine
CID 219178
10-Propylphenothiazine
CID 225110
10-(2-Methyl-allyl)-10H-phenothiazine
CID 788107
3-bromo-10H-phenothiazine
CID 283308
2-bromo-10H-phenothiazine
CID 13106350
3,7-Dibromo-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine;hydrochloride
CID 162672260
N,N-diethyl-N-[4-(10H-phenothiazin-10-yl)butyl]amine
CID 2835427
10H-Phenothiazine-10-butanamine, N,N-dimethyl-
CID 9966053
3,7-dibromo-10-methyl-10H-phenothiazine
CID 10915650
10-Hexyl-10H-phenothiazine
CID 18972631

Frequently Asked Questions

What is the IUPAC name of 3-bromo-10-methylphenothiazine?
The IUPAC name of 3-bromo-10-methylphenothiazine (CID 638529) is 3-bromo-10-methylphenothiazine.
What is the SMILES notation for 3-bromo-10-methylphenothiazine?
The canonical SMILES for 3-bromo-10-methylphenothiazine is CN1c2ccccc2Sc2cc(Br)ccc21.
What is the InChIKey of 3-bromo-10-methylphenothiazine?
The InChIKey is JRCGDSYBAVUGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNS/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,1H3.
What are the key properties of 3-bromo-10-methylphenothiazine?
3-bromo-10-methylphenothiazine has a molecular weight of 292.20 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10-methylphenothiazine is sourced from PubChem (CID 638529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).