3-bromo-10-(2-methoxyphenyl)phenothiazine

C19H14BrNOS — CID 13267548

IUPAC3-bromo-10-(2-methoxyphenyl)phenothiazine
SMILESCOc1ccccc1N1c2ccccc2Sc2cc(Br)ccc21
InChIInChI=1S/C19H14BrNOS/c1-22-17-8-4-2-6-14(17)21-15-7-3-5-9-18(15)23-19-12-13(20)10-11-16(19)21/h2-12H,1H3
InChIKeyYIXNOQPZQGQQEV-UHFFFAOYSA-N
MW384.30 g/mol
LogP6.39
Rot. Bonds2

About 3-bromo-10-(2-methoxyphenyl)phenothiazine

3-bromo-10-(2-methoxyphenyl)phenothiazine (PubChem CID 13267548) has the molecular formula C19H14BrNOS and a molecular weight of 384.30 g/mol. Its IUPAC name is 3-bromo-10-(2-methoxyphenyl)phenothiazine.

Molecular Properties

Compound Name3-bromo-10-(2-methoxyphenyl)phenothiazine
PubChem CID13267548
Molecular FormulaC19H14BrNOS
Molecular Weight384.30 g/mol
Exact Mass383.00
IUPAC Name3-bromo-10-(2-methoxyphenyl)phenothiazine
SMILESCOc1ccccc1N1c2ccccc2Sc2cc(Br)ccc21
InChIInChI=1S/C19H14BrNOS/c1-22-17-8-4-2-6-14(17)21-15-7-3-5-9-18(15)23-19-12-13(20)10-11-16(19)21/h2-12H,1H3
InChIKeyYIXNOQPZQGQQEV-UHFFFAOYSA-N
XLogP6.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.30
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(2,6-dimethoxy-4-methylphenyl)phenothiazine
CID 59572271
3-bromo-10-butylphenothiazine
CID 118645925
3,7-dibromo-10-(4-bromophenyl)phenothiazine
CID 638546
3-methoxy-10-methylphenothiazine
CID 18761115
1-(3-bromophenothiazin-10-yl)-N-ethyl-N-methylpentan-3-amine
CID 70899587
2-(2-methoxyphenyl)-6-methyl-9-thia-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572656
10-(2-methoxyphenyl)-3-methylphenothiazine 5-oxide
CID 59572425
7-bromo-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 177325664
10-[4-(2,5-dimethyl-4-phenothiazin-10-ylphenyl)-2,5-dimethylphenyl]phenothiazine
CID 102590349
3-tert-butyl-10-phenylphenothiazine
CID 134252291
3,7-dibromo-10-(4-octoxyphenyl)phenothiazine
CID 101486992
3,7-dibromo-10-(4-decoxyphenyl)phenothiazine
CID 57493421

Frequently Asked Questions

What is the IUPAC name of 3-bromo-10-(2-methoxyphenyl)phenothiazine?
The IUPAC name of 3-bromo-10-(2-methoxyphenyl)phenothiazine (CID 13267548) is 3-bromo-10-(2-methoxyphenyl)phenothiazine.
What is the SMILES notation for 3-bromo-10-(2-methoxyphenyl)phenothiazine?
The canonical SMILES for 3-bromo-10-(2-methoxyphenyl)phenothiazine is COc1ccccc1N1c2ccccc2Sc2cc(Br)ccc21.
What is the InChIKey of 3-bromo-10-(2-methoxyphenyl)phenothiazine?
The InChIKey is YIXNOQPZQGQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNOS/c1-22-17-8-4-2-6-14(17)21-15-7-3-5-9-18(15)23-19-12-13(20)10-11-16(19)21/h2-12H,1H3.
What are the key properties of 3-bromo-10-(2-methoxyphenyl)phenothiazine?
3-bromo-10-(2-methoxyphenyl)phenothiazine has a molecular weight of 384.30 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10-(2-methoxyphenyl)phenothiazine is sourced from PubChem (CID 13267548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).