4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine

C11H9NS — CID 20502086

IUPAC4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=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/b11-9-,12-10+
InChIKeyNRJGMNNOWCEODK-DSOJMZEYSA-N
MW187.27 g/mol
LogP3.20
Rot. Bonds

About 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine

4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine (PubChem CID 20502086) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine
PubChem CID20502086
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Name4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine
SMILES[H]N=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/b11-9-,12-10+
InChIKeyNRJGMNNOWCEODK-DSOJMZEYSA-N
XLogP3.20
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2H-1-benzothiophen-6-imine
CID 134890155
(4-Thiopyran-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 20502085
(2E)-2-[(Z)-4-methylpent-2-enylidene]thiophen-3-imine
CID 88270554
(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine
CID 89282869
(3E)-3-ethylsulfanylhexa-3,5-dien-2-imine
CID 91374063
4-Prop-2-enylsulfanylcyclohexa-3,5-diene-1,2-diimine
CID 129215758
(3Z,5E,8Z)-3-ethylidene-2-methyl-10-methylsulfanyldeca-1,5,8-trien-4-imine
CID 140662399
(Z)-6-imino-3-methylidenehept-4-ene-1-thiol
CID 141946925
4-Methylsulfanyl-5-prop-1-en-2-ylcyclohexa-2,4-dien-1-imine
CID 142431506
(2E)-2-(2-methylidenebutylidene)thiophen-3-imine
CID 155130400
(4-Thiopyran-4-ylidenecyclohexa-2,5-dien-1-ylidene)azanium perchlorate
CID 159122064
(2E)-2-[(Z)-2-methylbut-2-enylidene]thiophen-3-imine
CID 163640872

Frequently Asked Questions

What is the IUPAC name of 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine?
The IUPAC name of 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine (CID 20502086) is 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine?
The canonical SMILES for 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine is [H]N=C1C=CC(=C2C=CC=CS2)C=C1.
What is the InChIKey of 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine?
The InChIKey is NRJGMNNOWCEODK-DSOJMZEYSA-N. 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/b11-9-,12-10+.
What are the key properties of 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine?
4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine has a molecular weight of 187.27 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiopyran-2-ylidenecyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 20502086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).