10H-phenothiazin-2-amine

C12H10N2S — CID 15556089

IUPAC10H-phenothiazin-2-amine
SMILESNc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H10N2S/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H,13H2
InChIKeyBVXNSTQKLRXXEA-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.48
Rot. Bonds

About 10H-phenothiazin-2-amine

10H-phenothiazin-2-amine (PubChem CID 15556089) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 10H-phenothiazin-2-amine.

Molecular Properties

Compound Name10H-phenothiazin-2-amine
PubChem CID15556089
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name10H-phenothiazin-2-amine
SMILESNc1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C12H10N2S/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H,13H2
InChIKeyBVXNSTQKLRXXEA-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
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 10H-phenothiazin-2-amine?
The IUPAC name of 10H-phenothiazin-2-amine (CID 15556089) is 10H-phenothiazin-2-amine.
What is the SMILES notation for 10H-phenothiazin-2-amine?
The canonical SMILES for 10H-phenothiazin-2-amine is Nc1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazin-2-amine?
The InChIKey is BVXNSTQKLRXXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H,13H2.
What are the key properties of 10H-phenothiazin-2-amine?
10H-phenothiazin-2-amine has a molecular weight of 214.29 g/mol, XLogP of 3.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazin-2-amine is sourced from PubChem (CID 15556089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).