(2Z,4E)-5-aminopenta-2,4-diene-2-thiol

C5H9NS — CID 89363639

IUPAC(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
SMILESC/C(S)=C/C=C/N
InChIInChI=1S/C5H9NS/c1-5(7)3-2-4-6/h2-4,7H,6H2,1H3/b4-2+,5-3-
InChIKeyVJGSQNRXOQEOMP-HZDAAVBUSA-N
MW115.20 g/mol
LogP1.29
Rot. Bonds1

About (2Z,4E)-5-aminopenta-2,4-diene-2-thiol

(2Z,4E)-5-aminopenta-2,4-diene-2-thiol (PubChem CID 89363639) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (2Z,4E)-5-aminopenta-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
PubChem CID89363639
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
SMILESC/C(S)=C/C=C/N
InChIInChI=1S/C5H9NS/c1-5(7)3-2-4-6/h2-4,7H,6H2,1H3/b4-2+,5-3-
InChIKeyVJGSQNRXOQEOMP-HZDAAVBUSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532
(1E,3Z)-4,6-dimethylhepta-1,3,5-trien-1-amine
CID 143275427
(3Z)-buta-1,3-diene-1,1,4-triamine;ethane
CID 144743431
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-2-ol
CID 142883344
CID 155693595
CID 155693595
(Z)-4-aminobut-2-ene-2-thiol
CID 143658490
ethyl (4Z,6E)-2-acetyl-7-amino-4-sulfanylhepta-4,6-dienoate
CID 143523155
(1Z,3E,5Z,7E)-8-fluoro-4,7-dimethylnona-1,3,5,7-tetraen-1-amine
CID 146550324
ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(2E,4S,5Z)-6-amino-4-ethyl-3,4-dimethylhexa-2,5-diene-2-thiol
CID 163618916

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
The IUPAC name of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol (CID 89363639) is (2Z,4E)-5-aminopenta-2,4-diene-2-thiol.
What is the SMILES notation for (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
The canonical SMILES for (2Z,4E)-5-aminopenta-2,4-diene-2-thiol is C/C(S)=C/C=C/N.
What is the InChIKey of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
The InChIKey is VJGSQNRXOQEOMP-HZDAAVBUSA-N. The full InChI is InChI=1S/C5H9NS/c1-5(7)3-2-4-6/h2-4,7H,6H2,1H3/b4-2+,5-3-.
What are the key properties of (2Z,4E)-5-aminopenta-2,4-diene-2-thiol?
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol has a molecular weight of 115.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-aminopenta-2,4-diene-2-thiol is sourced from PubChem (CID 89363639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).