2,3-dimethyl-10H-phenothiazine

C14H13NS — CID 71503592

IUPAC2,3-dimethyl-10H-phenothiazine
SMILESCc1cc2c(cc1C)Sc1ccccc1N2
InChIInChI=1S/C14H13NS/c1-9-7-12-14(8-10(9)2)16-13-6-4-3-5-11(13)15-12/h3-8,15H,1-2H3
InChIKeyRJSBOKNAIVPWGY-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.51
Rot. Bonds

About 2,3-dimethyl-10H-phenothiazine

2,3-dimethyl-10H-phenothiazine (PubChem CID 71503592) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2,3-dimethyl-10H-phenothiazine.

Molecular Properties

Compound Name2,3-dimethyl-10H-phenothiazine
PubChem CID71503592
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name2,3-dimethyl-10H-phenothiazine
SMILESCc1cc2c(cc1C)Sc1ccccc1N2
InChIInChI=1S/C14H13NS/c1-9-7-12-14(8-10(9)2)16-13-6-4-3-5-11(13)15-12/h3-8,15H,1-2H3
InChIKeyRJSBOKNAIVPWGY-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-10H-phenothiazine?
The IUPAC name of 2,3-dimethyl-10H-phenothiazine (CID 71503592) is 2,3-dimethyl-10H-phenothiazine.
What is the SMILES notation for 2,3-dimethyl-10H-phenothiazine?
The canonical SMILES for 2,3-dimethyl-10H-phenothiazine is Cc1cc2c(cc1C)Sc1ccccc1N2.
What is the InChIKey of 2,3-dimethyl-10H-phenothiazine?
The InChIKey is RJSBOKNAIVPWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-9-7-12-14(8-10(9)2)16-13-6-4-3-5-11(13)15-12/h3-8,15H,1-2H3.
What are the key properties of 2,3-dimethyl-10H-phenothiazine?
2,3-dimethyl-10H-phenothiazine has a molecular weight of 227.33 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-10H-phenothiazine is sourced from PubChem (CID 71503592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).