10-methyl-3,7-bis(methylsulfanyl)phenothiazine

C15H15NS3 — CID 11130550

IUPAC10-methyl-3,7-bis(methylsulfanyl)phenothiazine
SMILESCSc1ccc2c(c1)Sc1cc(SC)ccc1N2C
InChIInChI=1S/C15H15NS3/c1-16-12-6-4-10(17-2)8-14(12)19-15-9-11(18-3)5-7-13(15)16/h4-9H,1-3H3
InChIKeyGJPXWRMODZYWNF-UHFFFAOYSA-N
MW305.49 g/mol
LogP5.36
Rot. Bonds2

About 10-methyl-3,7-bis(methylsulfanyl)phenothiazine

10-methyl-3,7-bis(methylsulfanyl)phenothiazine (PubChem CID 11130550) has the molecular formula C15H15NS3 and a molecular weight of 305.49 g/mol. Its IUPAC name is 10-methyl-3,7-bis(methylsulfanyl)phenothiazine.

Molecular Properties

Compound Name10-methyl-3,7-bis(methylsulfanyl)phenothiazine
PubChem CID11130550
Molecular FormulaC15H15NS3
Molecular Weight305.49 g/mol
Exact Mass305.04
IUPAC Name10-methyl-3,7-bis(methylsulfanyl)phenothiazine
SMILESCSc1ccc2c(c1)Sc1cc(SC)ccc1N2C
InChIInChI=1S/C15H15NS3/c1-16-12-6-4-10(17-2)8-14(12)19-15-9-11(18-3)5-7-13(15)16/h4-9H,1-3H3
InChIKeyGJPXWRMODZYWNF-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,7-bis(methylsulfanyl)phenothiazine?
The IUPAC name of 10-methyl-3,7-bis(methylsulfanyl)phenothiazine (CID 11130550) is 10-methyl-3,7-bis(methylsulfanyl)phenothiazine.
What is the SMILES notation for 10-methyl-3,7-bis(methylsulfanyl)phenothiazine?
The canonical SMILES for 10-methyl-3,7-bis(methylsulfanyl)phenothiazine is CSc1ccc2c(c1)Sc1cc(SC)ccc1N2C.
What is the InChIKey of 10-methyl-3,7-bis(methylsulfanyl)phenothiazine?
The InChIKey is GJPXWRMODZYWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS3/c1-16-12-6-4-10(17-2)8-14(12)19-15-9-11(18-3)5-7-13(15)16/h4-9H,1-3H3.
What are the key properties of 10-methyl-3,7-bis(methylsulfanyl)phenothiazine?
10-methyl-3,7-bis(methylsulfanyl)phenothiazine has a molecular weight of 305.49 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,7-bis(methylsulfanyl)phenothiazine is sourced from PubChem (CID 11130550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).