(2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine

C8H15NS — CID 89367415

IUPAC(2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine
SMILESC/C=C\C=C(/CN)SCC
InChIInChI=1S/C8H15NS/c1-3-5-6-8(7-9)10-4-2/h3,5-6H,4,7,9H2,1-2H3/b5-3-,8-6+
InChIKeyAFVXHAHCSYKOGI-CUKJDEOPSA-N
MW157.28 g/mol
LogP2.16
Rot. Bonds4

About (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine

(2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine (PubChem CID 89367415) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine
PubChem CID89367415
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine
SMILESC/C=C\C=C(/CN)SCC
InChIInChI=1S/C8H15NS/c1-3-5-6-8(7-9)10-4-2/h3,5-6H,4,7,9H2,1-2H3/b5-3-,8-6+
InChIKeyAFVXHAHCSYKOGI-CUKJDEOPSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine (CID 89367415) is (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine is C/C=C\C=C(/CN)SCC.
What is the InChIKey of (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine?
The InChIKey is AFVXHAHCSYKOGI-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-5-6-8(7-9)10-4-2/h3,5-6H,4,7,9H2,1-2H3/b5-3-,8-6+.
What are the key properties of (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine?
(2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine is sourced from PubChem (CID 89367415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).