10H-phenothiazine;2H-thiazine

C16H14N2S2 — CID 141410254

IUPAC10H-phenothiazine;2H-thiazine
SMILESC1=CNSC=C1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.C4H5NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-6-5-3-1/h1-8,13H;1-5H
InChIKeyKERORHSLVMZYDK-UHFFFAOYSA-N
MW298.44 g/mol
LogP5.16
Rot. Bonds

About 10H-phenothiazine;2H-thiazine

10H-phenothiazine;2H-thiazine (PubChem CID 141410254) has the molecular formula C16H14N2S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 10H-phenothiazine;2H-thiazine.

Molecular Properties

Compound Name10H-phenothiazine;2H-thiazine
PubChem CID141410254
Molecular FormulaC16H14N2S2
Molecular Weight298.44 g/mol
Exact Mass298.06
IUPAC Name10H-phenothiazine;2H-thiazine
SMILESC1=CNSC=C1.c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H9NS.C4H5NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-6-5-3-1/h1-8,13H;1-5H
InChIKeyKERORHSLVMZYDK-UHFFFAOYSA-N
XLogP5.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.44
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;10H-phenothiazine
CID 90730014
copper;10H-phenothiazine;hydrochloride
CID 70634229
boric acid;10H-phenothiazine
CID 159987394
1-(2H-thiazin-3-yl)-10H-phenothiazine
CID 174549313
bis(pyrrole-2,5-dione);2H-thiazine
CID 66886793
diphenylmethanone;10H-phenothiazine
CID 175143888
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
2-methyl-10H-phenothiazine
CID 611628
6-methylidene-5H-benzo[b][1,4]benzothiazepine
CID 4227223
10H-phenothiazine-1,2-diol
CID 19596784
cyclohexanol;10H-phenothiazine
CID 144921542
1,10-dihydrophenothiazin-1-ide;iridium
CID 175152373

Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazine;2H-thiazine?
The IUPAC name of 10H-phenothiazine;2H-thiazine (CID 141410254) is 10H-phenothiazine;2H-thiazine.
What is the SMILES notation for 10H-phenothiazine;2H-thiazine?
The canonical SMILES for 10H-phenothiazine;2H-thiazine is C1=CNSC=C1.c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazine;2H-thiazine?
The InChIKey is KERORHSLVMZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS.C4H5NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-2-4-6-5-3-1/h1-8,13H;1-5H.
What are the key properties of 10H-phenothiazine;2H-thiazine?
10H-phenothiazine;2H-thiazine has a molecular weight of 298.44 g/mol, XLogP of 5.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazine;2H-thiazine is sourced from PubChem (CID 141410254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).