1,2,3,4-tetramethyl-10H-phenothiazine

C16H17NS — CID 91137984

IUPAC1,2,3,4-tetramethyl-10H-phenothiazine
SMILESCc1c(C)c(C)c2c(c1C)Nc1ccccc1S2
InChIInChI=1S/C16H17NS/c1-9-10(2)12(4)16-15(11(9)3)17-13-7-5-6-8-14(13)18-16/h5-8,17H,1-4H3
InChIKeyIICHNJIPBNDJER-UHFFFAOYSA-N
MW255.39 g/mol
LogP5.13
Rot. Bonds

About 1,2,3,4-tetramethyl-10H-phenothiazine

1,2,3,4-tetramethyl-10H-phenothiazine (PubChem CID 91137984) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-10H-phenothiazine.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-10H-phenothiazine
PubChem CID91137984
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name1,2,3,4-tetramethyl-10H-phenothiazine
SMILESCc1c(C)c(C)c2c(c1C)Nc1ccccc1S2
InChIInChI=1S/C16H17NS/c1-9-10(2)12(4)16-15(11(9)3)17-13-7-5-6-8-14(13)18-16/h5-8,17H,1-4H3
InChIKeyIICHNJIPBNDJER-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-10H-phenothiazine?
The IUPAC name of 1,2,3,4-tetramethyl-10H-phenothiazine (CID 91137984) is 1,2,3,4-tetramethyl-10H-phenothiazine.
What is the SMILES notation for 1,2,3,4-tetramethyl-10H-phenothiazine?
The canonical SMILES for 1,2,3,4-tetramethyl-10H-phenothiazine is Cc1c(C)c(C)c2c(c1C)Nc1ccccc1S2.
What is the InChIKey of 1,2,3,4-tetramethyl-10H-phenothiazine?
The InChIKey is IICHNJIPBNDJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-9-10(2)12(4)16-15(11(9)3)17-13-7-5-6-8-14(13)18-16/h5-8,17H,1-4H3.
What are the key properties of 1,2,3,4-tetramethyl-10H-phenothiazine?
1,2,3,4-tetramethyl-10H-phenothiazine has a molecular weight of 255.39 g/mol, XLogP of 5.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-10H-phenothiazine is sourced from PubChem (CID 91137984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).