10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine

C17H17NOS3 — CID 88813856

IUPAC10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine
SMILESCSC(=Cc1ccc2c(c1)N(C)c1ccccc1S2)S(C)=O
InChIInChI=1S/C17H17NOS3/c1-18-13-6-4-5-7-15(13)21-16-9-8-12(10-14(16)18)11-17(20-2)22(3)19/h4-11H,1-3H3
InChIKeyGACROMMKBNPFTG-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.96
Rot. Bonds3

About 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine

10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine (PubChem CID 88813856) has the molecular formula C17H17NOS3 and a molecular weight of 347.53 g/mol. Its IUPAC name is 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine.

Molecular Properties

Compound Name10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine
PubChem CID88813856
Molecular FormulaC17H17NOS3
Molecular Weight347.53 g/mol
Exact Mass347.05
IUPAC Name10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine
SMILESCSC(=Cc1ccc2c(c1)N(C)c1ccccc1S2)S(C)=O
InChIInChI=1S/C17H17NOS3/c1-18-13-6-4-5-7-15(13)21-16-9-8-12(10-14(16)18)11-17(20-2)22(3)19/h4-11H,1-3H3
InChIKeyGACROMMKBNPFTG-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine?
The IUPAC name of 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine (CID 88813856) is 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine.
What is the SMILES notation for 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine?
The canonical SMILES for 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine is CSC(=Cc1ccc2c(c1)N(C)c1ccccc1S2)S(C)=O.
What is the InChIKey of 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine?
The InChIKey is GACROMMKBNPFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS3/c1-18-13-6-4-5-7-15(13)21-16-9-8-12(10-14(16)18)11-17(20-2)22(3)19/h4-11H,1-3H3.
What are the key properties of 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine?
10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine has a molecular weight of 347.53 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-(2-methylsulfanyl-2-methylsulfinylethenyl)phenothiazine is sourced from PubChem (CID 88813856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).