2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide

C14H10Cl2N2O4S — CID 50907168

IUPAC2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide
SMILESCc1cc(C)c2c(c1)Nc1c(cc(Cl)c(Cl)c1[N+](=O)[O-])S2(=O)=O
InChIInChI=1S/C14H10Cl2N2O4S/c1-6-3-7(2)14-9(4-6)17-12-10(23(14,21)22)5-8(15)11(16)13(12)18(19)20/h3-5,17H,1-2H3
InChIKeyJDSUAXYZEGYQSP-UHFFFAOYSA-N
MW373.22 g/mol
LogP4.41
Rot. Bonds1

About 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide

2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide (PubChem CID 50907168) has the molecular formula C14H10Cl2N2O4S and a molecular weight of 373.22 g/mol. Its IUPAC name is 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide
PubChem CID50907168
Molecular FormulaC14H10Cl2N2O4S
Molecular Weight373.22 g/mol
Exact Mass371.97
IUPAC Name2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide
SMILESCc1cc(C)c2c(c1)Nc1c(cc(Cl)c(Cl)c1[N+](=O)[O-])S2(=O)=O
InChIInChI=1S/C14H10Cl2N2O4S/c1-6-3-7(2)14-9(4-6)17-12-10(23(14,21)22)5-8(15)11(16)13(12)18(19)20/h3-5,17H,1-2H3
InChIKeyJDSUAXYZEGYQSP-UHFFFAOYSA-N
XLogP4.41
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide?
The IUPAC name of 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide (CID 50907168) is 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide.
What is the SMILES notation for 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide?
The canonical SMILES for 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide is Cc1cc(C)c2c(c1)Nc1c(cc(Cl)c(Cl)c1[N+](=O)[O-])S2(=O)=O.
What is the InChIKey of 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide?
The InChIKey is JDSUAXYZEGYQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4S/c1-6-3-7(2)14-9(4-6)17-12-10(23(14,21)22)5-8(15)11(16)13(12)18(19)20/h3-5,17H,1-2H3.
What are the key properties of 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide?
2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide has a molecular weight of 373.22 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6,8-dimethyl-1-nitro-10H-phenothiazine 5,5-dioxide is sourced from PubChem (CID 50907168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).