N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine

C8H11NS — CID 89272292

IUPACN-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=NC1=CCCC=C1SC
InChIInChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h5-6H,1,3-4H2,2H3
InChIKeyYCNGEPHRWXYVOY-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.61
Rot. Bonds2

About N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine

N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine (PubChem CID 89272292) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
PubChem CID89272292
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
SMILESC=NC1=CCCC=C1SC
InChIInChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h5-6H,1,3-4H2,2H3
InChIKeyYCNGEPHRWXYVOY-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
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 N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine?
The IUPAC name of N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine (CID 89272292) is N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine.
What is the SMILES notation for N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine?
The canonical SMILES for N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine is C=NC1=CCCC=C1SC.
What is the InChIKey of N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine?
The InChIKey is YCNGEPHRWXYVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h5-6H,1,3-4H2,2H3.
What are the key properties of N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine?
N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine has a molecular weight of 153.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine is sourced from PubChem (CID 89272292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).