(Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol

C10H19NS — CID 167292732

IUPAC(Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol
SMILESC/N=C(\C)C(C)C/C=C(/C)CS
InChIInChI=1S/C10H19NS/c1-8(7-12)5-6-9(2)10(3)11-4/h5,9,12H,6-7H2,1-4H3/b8-5-,11-10+
InChIKeyQCISEAFRKGJUDU-VPDIDQSWSA-N
MW185.34 g/mol
LogP2.98
Rot. Bonds4

About (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol

(Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol (PubChem CID 167292732) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol
PubChem CID167292732
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol
SMILESC/N=C(\C)C(C)C/C=C(/C)CS
InChIInChI=1S/C10H19NS/c1-8(7-12)5-6-9(2)10(3)11-4/h5,9,12H,6-7H2,1-4H3/b8-5-,11-10+
InChIKeyQCISEAFRKGJUDU-VPDIDQSWSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-2,5-dimethyl-6-methyliminohept-2-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

Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol?
The IUPAC name of (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol (CID 167292732) is (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol.
What is the SMILES notation for (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol?
The canonical SMILES for (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol is C/N=C(\C)C(C)C/C=C(/C)CS.
What is the InChIKey of (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol?
The InChIKey is QCISEAFRKGJUDU-VPDIDQSWSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(7-12)5-6-9(2)10(3)11-4/h5,9,12H,6-7H2,1-4H3/b8-5-,11-10+.
What are the key properties of (Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol?
(Z)-2,5-dimethyl-6-methyliminohept-2-ene-1-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)-2,5-dimethyl-6-methyliminohept-2-ene-1-thiol is sourced from PubChem (CID 167292732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).