(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol

C6H9NS — CID 144963361

IUPAC(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol
SMILESC=C/C=C(/CS)N=C
InChIInChI=1S/C6H9NS/c1-3-4-6(5-8)7-2/h3-4,8H,1-2,5H2/b6-4-
InChIKeyFJUNNGHAAYBPFX-XQRVVYSFSA-N
MW127.21 g/mol
LogP1.69
Rot. Bonds3

About (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol

(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol (PubChem CID 144963361) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol.

Molecular Properties

Compound Name(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol
PubChem CID144963361
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol
SMILESC=C/C=C(/CS)N=C
InChIInChI=1S/C6H9NS/c1-3-4-6(5-8)7-2/h3-4,8H,1-2,5H2/b6-4-
InChIKeyFJUNNGHAAYBPFX-XQRVVYSFSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2Z)-2-(methylideneamino)penta-2,4-diene-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

Related Compounds

[(2Z)-2-(methylideneamino)penta-2,4-dienyl] thiohypofluorite
CID 144909950
(1E,3Z)-1-(methylideneamino)penta-1,3-diene-1-thiol
CID 131978521
(3Z)-4-(methylideneamino)penta-1,3-diene-2-thiol
CID 143022946
(1Z,3Z)-2-(methylideneamino)hexa-1,3,5-triene-1-thiol
CID 155374243
(1Z,3Z)-2-(ethylideneamino)penta-1,3-diene-1-thiol
CID 142099485
(E)-3-(methylideneamino)but-2-ene-1-thiol
CID 142802197
(1E,3Z)-3-ethenyl-2-(methylideneamino)hexa-1,3,5-triene-1-thiol
CID 143237246

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol?
The IUPAC name of (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol (CID 144963361) is (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol.
What is the SMILES notation for (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol?
The canonical SMILES for (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol is C=C/C=C(/CS)N=C.
What is the InChIKey of (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol?
The InChIKey is FJUNNGHAAYBPFX-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H9NS/c1-3-4-6(5-8)7-2/h3-4,8H,1-2,5H2/b6-4-.
What are the key properties of (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol?
(2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol has a molecular weight of 127.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(methylideneamino)penta-2,4-diene-1-thiol is sourced from PubChem (CID 144963361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).