5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol

C8H11NOS — CID 129289813

IUPAC5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol
SMILESN/C(=C\S)C1=CC(O)=CCC1
InChIInChI=1S/C8H11NOS/c9-8(5-11)6-2-1-3-7(10)4-6/h3-5,10-11H,1-2,9H2/b8-5-
InChIKeyUMBWZZLTLKQJRV-YVMONPNESA-N
MW169.25 g/mol
LogP1.88
Rot. Bonds1

About 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol

5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol (PubChem CID 129289813) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol
PubChem CID129289813
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol
SMILESN/C(=C\S)C1=CC(O)=CCC1
InChIInChI=1S/C8H11NOS/c9-8(5-11)6-2-1-3-7(10)4-6/h3-5,10-11H,1-2,9H2/b8-5-
InChIKeyUMBWZZLTLKQJRV-YVMONPNESA-N
XLogP1.88
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol (CID 129289813) is 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol is N/C(=C\S)C1=CC(O)=CCC1.
What is the InChIKey of 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol?
The InChIKey is UMBWZZLTLKQJRV-YVMONPNESA-N. The full InChI is InChI=1S/C8H11NOS/c9-8(5-11)6-2-1-3-7(10)4-6/h3-5,10-11H,1-2,9H2/b8-5-.
What are the key properties of 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol?
5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol has a molecular weight of 169.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-2-sulfanylethenyl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 129289813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).