3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride

C16H20ClN3S — CID 18332239

IUPAC3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride
SMILESCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1[NH2+]2.[Cl-]
InChIInChI=1S/C16H19N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10,17H,1-4H3;1H
InChIKeyZDZXXOJETOMNEI-UHFFFAOYSA-N
MW321.88 g/mol
LogP-0.19
Rot. Bonds2

About 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride

3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride (PubChem CID 18332239) has the molecular formula C16H20ClN3S and a molecular weight of 321.88 g/mol. Its IUPAC name is 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride.

Molecular Properties

Compound Name3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride
PubChem CID18332239
Molecular FormulaC16H20ClN3S
Molecular Weight321.88 g/mol
Exact Mass321.11
IUPAC Name3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride
SMILESCN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1[NH2+]2.[Cl-]
InChIInChI=1S/C16H19N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10,17H,1-4H3;1H
InChIKeyZDZXXOJETOMNEI-UHFFFAOYSA-N
XLogP-0.19
TPSA23.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.88
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride?
The IUPAC name of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride (CID 18332239) is 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride.
What is the SMILES notation for 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride?
The canonical SMILES for 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride is CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1[NH2+]2.[Cl-].
What is the InChIKey of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride?
The InChIKey is ZDZXXOJETOMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10,17H,1-4H3;1H.
What are the key properties of 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride?
3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride has a molecular weight of 321.88 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,7-N,7-N-tetramethyl-10H-phenothiazin-10-ium-3,7-diamine chloride is sourced from PubChem (CID 18332239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).