(4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium

C11H10NS+ — CID 20502085

IUPAC(4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILES[NH2+]=C1C=CC(=C2C=CC=CS2)C=C1
InChIInChI=1S/C11H9NS/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,12H/p+1/b11-9-,12-10?
InChIKeyNRJGMNNOWCEODK-ONNZKKIYSA-O
MW188.28 g/mol
LogP1.38
Rot. Bonds

About (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium

(4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 20502085) has the molecular formula C11H10NS+ and a molecular weight of 188.28 g/mol. Its IUPAC name is (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Name(4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID20502085
Molecular FormulaC11H10NS+
Molecular Weight188.28 g/mol
Exact Mass188.05
IUPAC Name(4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
SMILES[NH2+]=C1C=CC(=C2C=CC=CS2)C=C1
InChIInChI=1S/C11H9NS/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,12H/p+1/b11-9-,12-10?
InChIKeyNRJGMNNOWCEODK-ONNZKKIYSA-O
XLogP1.38
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium (CID 20502085) is (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium is [NH2+]=C1C=CC(=C2C=CC=CS2)C=C1.
What is the InChIKey of (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is NRJGMNNOWCEODK-ONNZKKIYSA-O. The full InChI is InChI=1S/C11H9NS/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8,12H/p+1/b11-9-,12-10?.
What are the key properties of (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium?
(4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 188.28 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 20502085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).