(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine

C8H9NS — CID 89282869

IUPAC(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\SC
InChIInChI=1S/C8H9NS/c1-10-6-7-4-2-3-5-8(7)9/h2-6,9H,1H3/b7-6-,9-8+
InChIKeyWSQWVIJWGNYGIE-NMMTYZSQSA-N
MW151.23 g/mol
LogP2.38
Rot. Bonds1

About (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine

(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 89282869) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine
PubChem CID89282869
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\SC
InChIInChI=1S/C8H9NS/c1-10-6-7-4-2-3-5-8(7)9/h2-6,9H,1H3/b7-6-,9-8+
InChIKeyWSQWVIJWGNYGIE-NMMTYZSQSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine (CID 89282869) is (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C\SC.
What is the InChIKey of (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is WSQWVIJWGNYGIE-NMMTYZSQSA-N. The full InChI is InChI=1S/C8H9NS/c1-10-6-7-4-2-3-5-8(7)9/h2-6,9H,1H3/b7-6-,9-8+.
What are the key properties of (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine?
(6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 151.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(methylsulfanylmethylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 89282869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).