(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine

C8H11NS — CID 91550984

IUPAC(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C)C(=C)SC=C
InChIInChI=1S/C8H11NS/c1-4-10-8(3)7(2)5-6-9/h4-6,9H,1,3H2,2H3/b7-5+,9-6+
InChIKeyZIUPUZFOMLDDLR-PDTNFJSOSA-N
MW153.25 g/mol
LogP2.97
Rot. Bonds4

About (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine

(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine (PubChem CID 91550984) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine
PubChem CID91550984
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C)C(=C)SC=C
InChIInChI=1S/C8H11NS/c1-4-10-8(3)7(2)5-6-9/h4-6,9H,1,3H2,2H3/b7-5+,9-6+
InChIKeyZIUPUZFOMLDDLR-PDTNFJSOSA-N
XLogP2.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
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

(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
CID 87310153
(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine
CID 122488047
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
ethane;(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
CID 143593368
(Z)-2-methylidene-4-prop-2-enylsulfanylbut-3-en-1-imine
CID 170118304

Frequently Asked Questions

What is the IUPAC name of (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine (CID 91550984) is (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine is [H]/N=C/C=C(\C)C(=C)SC=C.
What is the InChIKey of (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine?
The InChIKey is ZIUPUZFOMLDDLR-PDTNFJSOSA-N. The full InChI is InChI=1S/C8H11NS/c1-4-10-8(3)7(2)5-6-9/h4-6,9H,1,3H2,2H3/b7-5+,9-6+.
What are the key properties of (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine?
(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine has a molecular weight of 153.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 91550984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).