10-butylphenothiazine-3-carbaldehyde

C17H17NOS — CID 11380556

IUPAC10-butylphenothiazine-3-carbaldehyde
SMILESCCCCN1c2ccccc2Sc2cc(C=O)ccc21
InChIInChI=1S/C17H17NOS/c1-2-3-10-18-14-6-4-5-7-16(14)20-17-11-13(12-19)8-9-15(17)18/h4-9,11-12H,2-3,10H2,1H3
InChIKeyBPMJEQGEJQHGCZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.90
Rot. Bonds4

About 10-butylphenothiazine-3-carbaldehyde

10-butylphenothiazine-3-carbaldehyde (PubChem CID 11380556) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 10-butylphenothiazine-3-carbaldehyde.

Molecular Properties

Compound Name10-butylphenothiazine-3-carbaldehyde
PubChem CID11380556
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name10-butylphenothiazine-3-carbaldehyde
SMILESCCCCN1c2ccccc2Sc2cc(C=O)ccc21
InChIInChI=1S/C17H17NOS/c1-2-3-10-18-14-6-4-5-7-16(14)20-17-11-13(12-19)8-9-15(17)18/h4-9,11-12H,2-3,10H2,1H3
InChIKeyBPMJEQGEJQHGCZ-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-butylphenothiazine-3-carbaldehyde?
The IUPAC name of 10-butylphenothiazine-3-carbaldehyde (CID 11380556) is 10-butylphenothiazine-3-carbaldehyde.
What is the SMILES notation for 10-butylphenothiazine-3-carbaldehyde?
The canonical SMILES for 10-butylphenothiazine-3-carbaldehyde is CCCCN1c2ccccc2Sc2cc(C=O)ccc21.
What is the InChIKey of 10-butylphenothiazine-3-carbaldehyde?
The InChIKey is BPMJEQGEJQHGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-3-10-18-14-6-4-5-7-16(14)20-17-11-13(12-19)8-9-15(17)18/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of 10-butylphenothiazine-3-carbaldehyde?
10-butylphenothiazine-3-carbaldehyde has a molecular weight of 283.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butylphenothiazine-3-carbaldehyde is sourced from PubChem (CID 11380556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).