(Z)-3-ethyliminohex-4-ene-1-thiol

C8H15NS — CID 166091856

IUPAC(Z)-3-ethyliminohex-4-ene-1-thiol
SMILESC/C=C\C(CCS)=N\CC
InChIInChI=1S/C8H15NS/c1-3-5-8(6-7-10)9-4-2/h3,5,10H,4,6-7H2,1-2H3/b5-3-,9-8-
InChIKeyWASWGTQPXLZJKS-MLBMHQFOSA-N
MW157.28 g/mol
LogP2.34
Rot. Bonds4

About (Z)-3-ethyliminohex-4-ene-1-thiol

(Z)-3-ethyliminohex-4-ene-1-thiol (PubChem CID 166091856) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (Z)-3-ethyliminohex-4-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-ethyliminohex-4-ene-1-thiol
PubChem CID166091856
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(Z)-3-ethyliminohex-4-ene-1-thiol
SMILESC/C=C\C(CCS)=N\CC
InChIInChI=1S/C8H15NS/c1-3-5-8(6-7-10)9-4-2/h3,5,10H,4,6-7H2,1-2H3/b5-3-,9-8-
InChIKeyWASWGTQPXLZJKS-MLBMHQFOSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-ethyliminohex-4-ene-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

6-(2,2,2-Trifluoroethyl)-2,3-dihydropyridine-3-thiol
CID 164166463
6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
(7-Methyl-6-methylideneazepin-3-yl)methanethiol
CID 91136918
N-ethylhex-4-en-3-imine
CID 123216726
3-[[(E)-oct-5-en-4-ylidene]amino]propane-1-thiol
CID 123251752
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
(Z)-4-methyliminopent-2-enethial
CID 129209386
(3E,10E)-11-(propan-2-ylideneamino)undeca-3,7,10-triene-2-thiol
CID 134526773
(4Z)-3-methyliminohepta-4,6-diene-1-thiol
CID 138599228
(3E)-2-ethyliminohepta-3,6-diene-3-thiol
CID 139316707
(Z)-N-ethylhex-4-en-3-imine
CID 141929442
(3Z)-2-methyliminohexa-3,5-diene-1-thiol
CID 143108378

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyliminohex-4-ene-1-thiol?
The IUPAC name of (Z)-3-ethyliminohex-4-ene-1-thiol (CID 166091856) is (Z)-3-ethyliminohex-4-ene-1-thiol.
What is the SMILES notation for (Z)-3-ethyliminohex-4-ene-1-thiol?
The canonical SMILES for (Z)-3-ethyliminohex-4-ene-1-thiol is C/C=C\C(CCS)=N\CC.
What is the InChIKey of (Z)-3-ethyliminohex-4-ene-1-thiol?
The InChIKey is WASWGTQPXLZJKS-MLBMHQFOSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-5-8(6-7-10)9-4-2/h3,5,10H,4,6-7H2,1-2H3/b5-3-,9-8-.
What are the key properties of (Z)-3-ethyliminohex-4-ene-1-thiol?
(Z)-3-ethyliminohex-4-ene-1-thiol has a molecular weight of 157.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyliminohex-4-ene-1-thiol is sourced from PubChem (CID 166091856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).