(2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol

C7H11NS — CID 129102699

IUPAC(2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol
SMILESC=NC(=C\C)/C(S)=C/C
InChIInChI=1S/C7H11NS/c1-4-6(8-3)7(9)5-2/h4-5,9H,3H2,1-2H3/b6-4-,7-5-
InChIKeyFZZNBFZVWKRFFL-PEPZGXQESA-N
MW141.24 g/mol
LogP2.42
Rot. Bonds2

About (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol

(2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol (PubChem CID 129102699) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol.

Molecular Properties

Compound Name(2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol
PubChem CID129102699
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol
SMILESC=NC(=C\C)/C(S)=C/C
InChIInChI=1S/C7H11NS/c1-4-6(8-3)7(9)5-2/h4-5,9H,3H2,1-2H3/b6-4-,7-5-
InChIKeyFZZNBFZVWKRFFL-PEPZGXQESA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.42
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,4Z)-4-(methylideneamino)hexa-2,4-diene-3-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 (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol?
The IUPAC name of (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol (CID 129102699) is (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol.
What is the SMILES notation for (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol?
The canonical SMILES for (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol is C=NC(=C\C)/C(S)=C/C.
What is the InChIKey of (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol?
The InChIKey is FZZNBFZVWKRFFL-PEPZGXQESA-N. The full InChI is InChI=1S/C7H11NS/c1-4-6(8-3)7(9)5-2/h4-5,9H,3H2,1-2H3/b6-4-,7-5-.
What are the key properties of (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol?
(2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol has a molecular weight of 141.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-(methylideneamino)hexa-2,4-diene-3-thiol is sourced from PubChem (CID 129102699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).