6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine

C8H9NS — CID 154044073

IUPAC6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=CC1=NSC
InChIInChI=1S/C8H9NS/c1-7-5-3-4-6-8(7)9-10-2/h3-6H,1H2,2H3
InChIKeyCXQWSARWMQMRFT-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.39
Rot. Bonds1

About 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine

6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine (PubChem CID 154044073) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
PubChem CID154044073
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=CC1=NSC
InChIInChI=1S/C8H9NS/c1-7-5-3-4-6-8(7)9-10-2/h3-6H,1H2,2H3
InChIKeyCXQWSARWMQMRFT-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine (CID 154044073) is 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine is C=C1C=CC=CC1=NSC.
What is the InChIKey of 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine?
The InChIKey is CXQWSARWMQMRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-7-5-3-4-6-8(7)9-10-2/h3-6H,1H2,2H3.
What are the key properties of 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine?
6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine has a molecular weight of 151.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N-methylsulfanylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 154044073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).