[(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite

C18H22FNS — CID 145499472

IUPAC[(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite
SMILESC=C/C(SF)=C(C)/N=C(/C=C(C)C)c1ccccc1CC
InChIInChI=1S/C18H22FNS/c1-6-15-10-8-9-11-16(15)17(12-13(3)4)20-14(5)18(7-2)21-19/h7-12H,2,6H2,1,3-5H3/b18-14-,20-17-
InChIKeyFNTUPXMZUCFMOM-XXHIUQIYSA-N
MW303.45 g/mol
LogP6.04
Rot. Bonds6

About [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite

[(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite (PubChem CID 145499472) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite.

Molecular Properties

Compound Name[(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite
PubChem CID145499472
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name[(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite
SMILESC=C/C(SF)=C(C)/N=C(/C=C(C)C)c1ccccc1CC
InChIInChI=1S/C18H22FNS/c1-6-15-10-8-9-11-16(15)17(12-13(3)4)20-14(5)18(7-2)21-19/h7-12H,2,6H2,1,3-5H3/b18-14-,20-17-
InChIKeyFNTUPXMZUCFMOM-XXHIUQIYSA-N
XLogP6.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123469974
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CID 59119889
1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene
CID 173408887
N-[2-(2-ethylphenyl)prop-1-enyl]butan-1-imine
CID 123956751
2-ethylbenzoic acid;tungsten
CID 23518478
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
S-(2-ethylphenyl) prop-2-enethioate
CID 175247853
N'-amino-2-ethylbenzenecarboximidamide
CID 54190034
1-ethyl-2-pent-1-en-2-ylbenzene
CID 173350978
3-ethylpyridine;[(3E)-4-methylhexa-1,3-dien-3-yl] thiohypofluorite;1-methyl-2-(6-methyl-4-methylidene-3-propylhept-5-enyl)benzene;prop-1-ene
CID 145499407
1-buta-1,3-dien-2-yl-2-(2-ethylphenyl)benzene;ethane;methane;prop-1-ene
CID 145340026
2-acetyloxyethyl 2-ethylbenzoate
CID 91495650

Frequently Asked Questions

What is the IUPAC name of [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite?
The IUPAC name of [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite (CID 145499472) is [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite.
What is the SMILES notation for [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite?
The canonical SMILES for [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite is C=C/C(SF)=C(C)/N=C(/C=C(C)C)c1ccccc1CC.
What is the InChIKey of [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite?
The InChIKey is FNTUPXMZUCFMOM-XXHIUQIYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-6-15-10-8-9-11-16(15)17(12-13(3)4)20-14(5)18(7-2)21-19/h7-12H,2,6H2,1,3-5H3/b18-14-,20-17-.
What are the key properties of [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite?
[(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite has a molecular weight of 303.45 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-4-[[1-(2-ethylphenyl)-3-methylbut-2-enylidene]amino]penta-1,3-dien-3-yl] thiohypofluorite is sourced from PubChem (CID 145499472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).