N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine

C8H11NS — CID 123551484

IUPACN-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
SMILESC=NC1=CC=CCC1SC
InChIInChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h3-5,8H,1,6H2,2H3
InChIKeyAFBDJOCTPOROLT-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.26
Rot. Bonds2

About N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine

N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine (PubChem CID 123551484) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
PubChem CID123551484
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
SMILESC=NC1=CC=CCC1SC
InChIInChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h3-5,8H,1,6H2,2H3
InChIKeyAFBDJOCTPOROLT-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-1-(2,3-dihydrothiophen-2-yl)buta-1,3-dienyl]ethanimine
CID 89188341
N-(6-methylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 89272292
(4S)-N,N-dimethyl-4-methylsulfanylcyclohexa-1,5-dien-1-amine
CID 118891671
N-(2-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123516648
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
7,7a-Dihydro-1,3-benzothiazole
CID 134408143
N-[(3Z)-1-methylsulfanylhexa-3,5-dien-3-yl]methanimine
CID 143081164
N-(2-ethylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 145388228
N-[(4Z,6Z)-5-ethylsulfanylnona-4,6,8-trien-4-yl]methanimine
CID 155276533
N,N-dimethyl-4-methylsulfanylcyclohexa-1,5-dien-1-amine
CID 156227031
(4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole
CID 163884278
N-[(5Z)-5-prop-2-enylidene-4H-thiopyran-3-yl]ethanimine
CID 167295151

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine?
The IUPAC name of N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine (CID 123551484) is N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine.
What is the SMILES notation for N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine?
The canonical SMILES for N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine is C=NC1=CC=CCC1SC.
What is the InChIKey of N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine?
The InChIKey is AFBDJOCTPOROLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-9-7-5-3-4-6-8(7)10-2/h3-5,8H,1,6H2,2H3.
What are the key properties of N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine?
N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine has a molecular weight of 153.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine is sourced from PubChem (CID 123551484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).