10-methyl-6,7-didehydrophenothiazine

C13H9NS — CID 146209378

IUPAC10-methyl-6,7-didehydrophenothiazine
SMILESCN1c2ccc#cc2Sc2ccccc21
InChIInChI=1S/C13H9NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-4,6-8H,1H3
InChIKeyIBFCVGVKGFZRAV-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.52
Rot. Bonds

About 10-methyl-6,7-didehydrophenothiazine

10-methyl-6,7-didehydrophenothiazine (PubChem CID 146209378) has the molecular formula C13H9NS and a molecular weight of 211.29 g/mol. Its IUPAC name is 10-methyl-6,7-didehydrophenothiazine.

Molecular Properties

Compound Name10-methyl-6,7-didehydrophenothiazine
PubChem CID146209378
Molecular FormulaC13H9NS
Molecular Weight211.29 g/mol
Exact Mass211.05
IUPAC Name10-methyl-6,7-didehydrophenothiazine
SMILESCN1c2ccc#cc2Sc2ccccc21
InChIInChI=1S/C13H9NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-4,6-8H,1H3
InChIKeyIBFCVGVKGFZRAV-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylpyrido[3,4-b][1,4]benzothiazine
CID 23521305
10-methyl-2-[[(10-methylphenothiazin-2-yl)methylhexasulfanyl]methyl]phenothiazine
CID 178090478
2-(10-methylphenothiazin-2-yl)acetaldehyde
CID 87418442
3-methoxy-10-methylphenothiazine
CID 18761115
1,3-bis(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 5197132
(1E)-1-(3-methyl-1,3-benzothiazol-2-ylidene)propan-2-one
CID 670432
(1Z,8Z)-1,8-bis(3-methyl-1,3-benzothiazol-2-ylidene)octane-2,7-dione
CID 56694003
10-methyl-3-pyridin-4-ylphenothiazine
CID 71011962
(2E)-3-methyl-2-[(1,2,6-trimethylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole
CID 177469325
2-(10-methylphenothiazin-3-yl)isoindole-1,3-dione
CID 15561068
1-(3-methyl-1,3-benzothiazol-2-ylidene)but-3-en-2-one
CID 4702140
2-[2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]indene-1,3-dione
CID 4194904

Frequently Asked Questions

What is the IUPAC name of 10-methyl-6,7-didehydrophenothiazine?
The IUPAC name of 10-methyl-6,7-didehydrophenothiazine (CID 146209378) is 10-methyl-6,7-didehydrophenothiazine.
What is the SMILES notation for 10-methyl-6,7-didehydrophenothiazine?
The canonical SMILES for 10-methyl-6,7-didehydrophenothiazine is CN1c2ccc#cc2Sc2ccccc21.
What is the InChIKey of 10-methyl-6,7-didehydrophenothiazine?
The InChIKey is IBFCVGVKGFZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS/c1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14/h2-4,6-8H,1H3.
What are the key properties of 10-methyl-6,7-didehydrophenothiazine?
10-methyl-6,7-didehydrophenothiazine has a molecular weight of 211.29 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6,7-didehydrophenothiazine is sourced from PubChem (CID 146209378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).