boric acid;10H-phenothiazine

C12H12BNO3S — CID 159987394

IUPACboric acid;10H-phenothiazine
SMILESOB(O)O.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.BH3O3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2-1(3)4/h1-8,13H;2-4H
InChIKeyOGMXDFHAEFAAAC-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.84
Rot. Bonds

About boric acid;10H-phenothiazine

boric acid;10H-phenothiazine (PubChem CID 159987394) has the molecular formula C12H12BNO3S and a molecular weight of 261.11 g/mol. Its IUPAC name is boric acid;10H-phenothiazine.

Molecular Properties

Compound Nameboric acid;10H-phenothiazine
PubChem CID159987394
Molecular FormulaC12H12BNO3S
Molecular Weight261.11 g/mol
Exact Mass261.06
IUPAC Nameboric acid;10H-phenothiazine
SMILESOB(O)O.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.BH3O3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2-1(3)4/h1-8,13H;2-4H
InChIKeyOGMXDFHAEFAAAC-UHFFFAOYSA-N
XLogP1.84
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
diphenylmethanone;10H-phenothiazine
CID 175143888
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
cyclohexanol;10H-phenothiazine
CID 144921542
10H-phenothiazin-4-yloxyboronic acid
CID 174928226
CID 174744500
CID 174744500
4-tert-butylphenol;10H-phenothiazine
CID 175126036
2-methyl-10H-phenothiazine
CID 611628
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
ethylcarbamic acid;10H-phenothiazine
CID 57349508

Frequently Asked Questions

What is the IUPAC name of boric acid;10H-phenothiazine?
The IUPAC name of boric acid;10H-phenothiazine (CID 159987394) is boric acid;10H-phenothiazine.
What is the SMILES notation for boric acid;10H-phenothiazine?
The canonical SMILES for boric acid;10H-phenothiazine is OB(O)O.c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of boric acid;10H-phenothiazine?
The InChIKey is OGMXDFHAEFAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS.BH3O3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;2-1(3)4/h1-8,13H;2-4H.
What are the key properties of boric acid;10H-phenothiazine?
boric acid;10H-phenothiazine has a molecular weight of 261.11 g/mol, XLogP of 1.84, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;10H-phenothiazine is sourced from PubChem (CID 159987394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).