phenothiazine-10-carbaldehyde

C13H9NOS — CID 11138870

IUPACphenothiazine-10-carbaldehyde
SMILESO=CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C13H9NOS/c15-9-14-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)14/h1-9H
InChIKeyIBXXEOZCWDXNQL-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.45
Rot. Bonds1

About phenothiazine-10-carbaldehyde

phenothiazine-10-carbaldehyde (PubChem CID 11138870) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is phenothiazine-10-carbaldehyde.

Molecular Properties

Compound Namephenothiazine-10-carbaldehyde
PubChem CID11138870
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Namephenothiazine-10-carbaldehyde
SMILESO=CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C13H9NOS/c15-9-14-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)14/h1-9H
InChIKeyIBXXEOZCWDXNQL-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
CID 143481394
(3E)-2,3-bis(aminomethylidene)-1,4-benzothiazine-4-carbaldehyde
CID 142088493
10-(cyclopentadecylidenemethyl)phenothiazine
CID 86063318
N-tert-butyl-1-phenothiazin-10-ylmethanimine
CID 13071503
1-phenothiazin-10-ylprop-2-en-1-one
CID 13012850
phenothiazine-10-carbonitrile
CID 15926111
2-(10-methylphenothiazin-2-yl)acetaldehyde
CID 87418442
3-(2-chlorophenothiazin-10-yl)prop-2-enamide
CID 169083351
10-[2-(2-phenothiazin-10-ylphenyl)sulfonylphenyl]phenothiazine
CID 130438684
10-[7,11-di(phenothiazin-10-yl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]phenothiazine
CID 67476601
10-(4-bromobutyl)phenothiazine
CID 14549797
2-phenothiazin-10-ylacetate
CID 6988018

Frequently Asked Questions

What is the IUPAC name of phenothiazine-10-carbaldehyde?
The IUPAC name of phenothiazine-10-carbaldehyde (CID 11138870) is phenothiazine-10-carbaldehyde.
What is the SMILES notation for phenothiazine-10-carbaldehyde?
The canonical SMILES for phenothiazine-10-carbaldehyde is O=CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenothiazine-10-carbaldehyde?
The InChIKey is IBXXEOZCWDXNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-9-14-10-5-1-3-7-12(10)16-13-8-4-2-6-11(13)14/h1-9H.
What are the key properties of phenothiazine-10-carbaldehyde?
phenothiazine-10-carbaldehyde has a molecular weight of 227.29 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazine-10-carbaldehyde is sourced from PubChem (CID 11138870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).