(Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol

C10H19NS — CID 166684622

IUPAC(Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol
SMILESC/N=C/C(=C\C(C)S)CC(C)C
InChIInChI=1S/C10H19NS/c1-8(2)5-10(7-11-4)6-9(3)12/h6-9,12H,5H2,1-4H3/b10-6-,11-7+
InChIKeyYVMALRRVINLHRM-NAKBGQTNSA-N
MW185.34 g/mol
LogP2.98
Rot. Bonds4

About (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol

(Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol (PubChem CID 166684622) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol.

Molecular Properties

Compound Name(Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol
PubChem CID166684622
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol
SMILESC/N=C/C(=C\C(C)S)CC(C)C
InChIInChI=1S/C10H19NS/c1-8(2)5-10(7-11-4)6-9(3)12/h6-9,12H,5H2,1-4H3/b10-6-,11-7+
InChIKeyYVMALRRVINLHRM-NAKBGQTNSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.98
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)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-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 (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol?
The IUPAC name of (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol (CID 166684622) is (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol.
What is the SMILES notation for (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol?
The canonical SMILES for (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol is C/N=C/C(=C\C(C)S)CC(C)C.
What is the InChIKey of (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol?
The InChIKey is YVMALRRVINLHRM-NAKBGQTNSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)5-10(7-11-4)6-9(3)12/h6-9,12H,5H2,1-4H3/b10-6-,11-7+.
What are the key properties of (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol?
(Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol has a molecular weight of 185.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-4-(methyliminomethyl)hept-3-ene-2-thiol is sourced from PubChem (CID 166684622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).