(4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol

C10H17NS — CID 88578834

IUPAC(4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol
SMILESC=C/C=C\C(C)=C/CC(N)CS
InChIInChI=1S/C10H17NS/c1-3-4-5-9(2)6-7-10(11)8-12/h3-6,10,12H,1,7-8,11H2,2H3/b5-4-,9-6-
InChIKeyWTLUODLOCYCGGF-WXOLFVLTSA-N
MW183.32 g/mol
LogP2.32
Rot. Bonds5

About (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol

(4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol (PubChem CID 88578834) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol.

Molecular Properties

Compound Name(4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol
PubChem CID88578834
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol
SMILESC=C/C=C\C(C)=C/CC(N)CS
InChIInChI=1S/C10H17NS/c1-3-4-5-9(2)6-7-10(11)8-12/h3-6,10,12H,1,7-8,11H2,2H3/b5-4-,9-6-
InChIKeyWTLUODLOCYCGGF-WXOLFVLTSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.32
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'}

Analyze (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol 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 (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol?
The IUPAC name of (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol (CID 88578834) is (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol.
What is the SMILES notation for (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol?
The canonical SMILES for (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol is C=C/C=C\C(C)=C/CC(N)CS.
What is the InChIKey of (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol?
The InChIKey is WTLUODLOCYCGGF-WXOLFVLTSA-N. The full InChI is InChI=1S/C10H17NS/c1-3-4-5-9(2)6-7-10(11)8-12/h3-6,10,12H,1,7-8,11H2,2H3/b5-4-,9-6-.
What are the key properties of (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol?
(4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol has a molecular weight of 183.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2-amino-5-methylnona-4,6,8-triene-1-thiol is sourced from PubChem (CID 88578834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).