1-phenyl-2-prop-2-enylsulfanylethanimine

C11H13NS — CID 10655350

IUPAC1-phenyl-2-prop-2-enylsulfanylethanimine
SMILES[H]/N=C(\CSCC=C)c1ccccc1
InChIInChI=1S/C11H13NS/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h2-7,12H,1,8-9H2/b12-11+
InChIKeyQAFRFPODMYGELL-VAWYXSNFSA-N
MW191.30 g/mol
LogP2.97
Rot. Bonds5

About 1-phenyl-2-prop-2-enylsulfanylethanimine

1-phenyl-2-prop-2-enylsulfanylethanimine (PubChem CID 10655350) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-phenyl-2-prop-2-enylsulfanylethanimine.

Molecular Properties

Compound Name1-phenyl-2-prop-2-enylsulfanylethanimine
PubChem CID10655350
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name1-phenyl-2-prop-2-enylsulfanylethanimine
SMILES[H]/N=C(\CSCC=C)c1ccccc1
InChIInChI=1S/C11H13NS/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h2-7,12H,1,8-9H2/b12-11+
InChIKeyQAFRFPODMYGELL-VAWYXSNFSA-N
XLogP2.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pent-4-en-2-yloxy-1-phenylethanimine
CID 155301968
(2S)-2-amino-4-(2-imino-2-phenylethyl)sulfanylbutanoic acid
CID 174435994
2-chloro-1-phenylethanimine
CID 13240605
barium(2+);hydride;phenol;3-prop-2-enylsulfanylprop-1-ene
CID 173284459
(4-imino-4-phenylbutan-2-yl) formate
CID 174425924
2-nitro-1-phenylethanimine
CID 54520017
1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene
CID 154510274
1-(2-fluorophenyl)-2-prop-2-enylsulfanylethanone
CID 165439199
2-methylphenol;3-prop-2-enylsulfanylprop-1-ene
CID 174364592
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
(2Z)-3-phenylpenta-2,4-dien-1-ol
CID 121216692
2-(2-imino-2-phenylethyl)benzoic acid
CID 91037866

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-prop-2-enylsulfanylethanimine?
The IUPAC name of 1-phenyl-2-prop-2-enylsulfanylethanimine (CID 10655350) is 1-phenyl-2-prop-2-enylsulfanylethanimine.
What is the SMILES notation for 1-phenyl-2-prop-2-enylsulfanylethanimine?
The canonical SMILES for 1-phenyl-2-prop-2-enylsulfanylethanimine is [H]/N=C(\CSCC=C)c1ccccc1.
What is the InChIKey of 1-phenyl-2-prop-2-enylsulfanylethanimine?
The InChIKey is QAFRFPODMYGELL-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NS/c1-2-8-13-9-11(12)10-6-4-3-5-7-10/h2-7,12H,1,8-9H2/b12-11+.
What are the key properties of 1-phenyl-2-prop-2-enylsulfanylethanimine?
1-phenyl-2-prop-2-enylsulfanylethanimine has a molecular weight of 191.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-prop-2-enylsulfanylethanimine is sourced from PubChem (CID 10655350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).