N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine

C8H14N2S — CID 134424836

IUPACN-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine
SMILESC=C(C(/C=C\C)=C/C)N(N)S
InChIInChI=1S/C8H14N2S/c1-4-6-8(5-2)7(3)10(9)11/h4-6,11H,3,9H2,1-2H3/b6-4-,8-5+
InChIKeyVQRKWYIMFZRTBV-QXMOYCCXSA-N
MW170.28 g/mol
LogP2.04
Rot. Bonds3

About N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine

N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine (PubChem CID 134424836) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine.

Molecular Properties

Compound NameN-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine
PubChem CID134424836
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine
SMILESC=C(C(/C=C\C)=C/C)N(N)S
InChIInChI=1S/C8H14N2S/c1-4-6-8(5-2)7(3)10(9)11/h4-6,11H,3,9H2,1-2H3/b6-4-,8-5+
InChIKeyVQRKWYIMFZRTBV-QXMOYCCXSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine?
The IUPAC name of N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine (CID 134424836) is N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine.
What is the SMILES notation for N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine?
The canonical SMILES for N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine is C=C(C(/C=C\C)=C/C)N(N)S.
What is the InChIKey of N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine?
The InChIKey is VQRKWYIMFZRTBV-QXMOYCCXSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-6-8(5-2)7(3)10(9)11/h4-6,11H,3,9H2,1-2H3/b6-4-,8-5+.
What are the key properties of N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine?
N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine has a molecular weight of 170.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(3E,4Z)-3-ethylidenehexa-1,4-dien-2-yl]thiohydroxylamine is sourced from PubChem (CID 134424836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).