5a,9a,10,10a-tetrahydro-1H-phenothiazine

C12H13NS — CID 122447896

IUPAC5a,9a,10,10a-tetrahydro-1H-phenothiazine
SMILESC1=CCC2NC3C=CC=CC3SC2=C1
InChIInChI=1S/C12H13NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-5,7-11,13H,6H2
InChIKeyPXBBVDRQXSTOGR-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.40
Rot. Bonds

About 5a,9a,10,10a-tetrahydro-1H-phenothiazine

5a,9a,10,10a-tetrahydro-1H-phenothiazine (PubChem CID 122447896) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 5a,9a,10,10a-tetrahydro-1H-phenothiazine.

Molecular Properties

Compound Name5a,9a,10,10a-tetrahydro-1H-phenothiazine
PubChem CID122447896
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name5a,9a,10,10a-tetrahydro-1H-phenothiazine
SMILESC1=CCC2NC3C=CC=CC3SC2=C1
InChIInChI=1S/C12H13NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-5,7-11,13H,6H2
InChIKeyPXBBVDRQXSTOGR-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5a,9a,10,10a-tetrahydro-1H-phenothiazine?
The IUPAC name of 5a,9a,10,10a-tetrahydro-1H-phenothiazine (CID 122447896) is 5a,9a,10,10a-tetrahydro-1H-phenothiazine.
What is the SMILES notation for 5a,9a,10,10a-tetrahydro-1H-phenothiazine?
The canonical SMILES for 5a,9a,10,10a-tetrahydro-1H-phenothiazine is C1=CCC2NC3C=CC=CC3SC2=C1.
What is the InChIKey of 5a,9a,10,10a-tetrahydro-1H-phenothiazine?
The InChIKey is PXBBVDRQXSTOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-5,7-11,13H,6H2.
What are the key properties of 5a,9a,10,10a-tetrahydro-1H-phenothiazine?
5a,9a,10,10a-tetrahydro-1H-phenothiazine has a molecular weight of 203.31 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,9a,10,10a-tetrahydro-1H-phenothiazine is sourced from PubChem (CID 122447896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).