6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine

C9H16FNS — CID 90914787

IUPAC6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine
SMILESC/N=C(\C=CC(C)F)C(C)SC
InChIInChI=1S/C9H16FNS/c1-7(10)5-6-9(11-3)8(2)12-4/h5-8H,1-4H3/b6-5?,11-9+
InChIKeyBCHSYDOPJDCQAG-QWOASKCPSA-N
MW189.30 g/mol
LogP2.72
Rot. Bonds4

About 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine

6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine (PubChem CID 90914787) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine.

Molecular Properties

Compound Name6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine
PubChem CID90914787
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine
SMILESC/N=C(\C=CC(C)F)C(C)SC
InChIInChI=1S/C9H16FNS/c1-7(10)5-6-9(11-3)8(2)12-4/h5-8H,1-4H3/b6-5?,11-9+
InChIKeyBCHSYDOPJDCQAG-QWOASKCPSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.72
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

6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
ethane;(2E)-N-ethyl-2-ethylidenethiophen-3-imine
CID 144296091
(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 144752184
(E)-N-tert-butyl-6-ethylsulfanylhept-3-en-2-imine
CID 155787761
(Z)-3-[1-(2-methyl-2,3-dihydropyridin-6-yl)ethylsulfanyl]prop-2-ene-1-thiol
CID 163881730
(E)-6-ethylsulfanyl-N-propan-2-ylhept-3-en-2-imine
CID 165372336
(4E,5Z)-2-ethenylsulfanyl-N-methyl-4-prop-2-enylideneocta-1,5,7-trien-3-imine
CID 166770520
(E)-6-ethylsulfanyl-N-(2-methylpropyl)hept-3-en-2-imine
CID 171739942
(1E,4Z)-6-methyliminoocta-1,4-diene-1-thiol
CID 173887113
6-pentyl-4-prop-2-enyl-2H-1,3-thiazine
CID 174667244

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine?
The IUPAC name of 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine (CID 90914787) is 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine.
What is the SMILES notation for 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine?
The canonical SMILES for 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine is C/N=C(\C=CC(C)F)C(C)SC.
What is the InChIKey of 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine?
The InChIKey is BCHSYDOPJDCQAG-QWOASKCPSA-N. The full InChI is InChI=1S/C9H16FNS/c1-7(10)5-6-9(11-3)8(2)12-4/h5-8H,1-4H3/b6-5?,11-9+.
What are the key properties of 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine?
6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine has a molecular weight of 189.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-2-methylsulfanylhept-4-en-3-imine is sourced from PubChem (CID 90914787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).