2-ethyl-4-methylidenehept-6-ene-1-thiol

C10H18S — CID 91523467

IUPAC2-ethyl-4-methylidenehept-6-ene-1-thiol
SMILESC=CCC(=C)CC(CC)CS
InChIInChI=1S/C10H18S/c1-4-6-9(3)7-10(5-2)8-11/h4,10-11H,1,3,5-8H2,2H3
InChIKeyFEYRISVXKWCGDX-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.46
Rot. Bonds6

About 2-ethyl-4-methylidenehept-6-ene-1-thiol

2-ethyl-4-methylidenehept-6-ene-1-thiol (PubChem CID 91523467) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2-ethyl-4-methylidenehept-6-ene-1-thiol.

Molecular Properties

Compound Name2-ethyl-4-methylidenehept-6-ene-1-thiol
PubChem CID91523467
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2-ethyl-4-methylidenehept-6-ene-1-thiol
SMILESC=CCC(=C)CC(CC)CS
InChIInChI=1S/C10H18S/c1-4-6-9(3)7-10(5-2)8-11/h4,10-11H,1,3,5-8H2,2H3
InChIKeyFEYRISVXKWCGDX-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-methylidenehept-6-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-Octene-1-thiol, 3,7-dimethyl-
CID 13537624
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
(3R,4S,6S)-7-fluoro-3,6-dimethylhept-1-ene-4-thiol
CID 89110210
(2R)-1-fluoro-2,3-dimethylhept-6-ene-1-thiol
CID 163638496
(6E)-3,7,11-trimethyldodeca-6,10-diene-1-thiol
CID 171109145
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
2-[(1S,2S)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropyl]ethanethiol
CID 171109148
(E)-3,7,11-trimethyldodec-6-ene-1-thiol
CID 171109149
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
2-Butyl-4-pentenethiol
CID 129783071
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
(s)-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanethiol
CID 177896084

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylidenehept-6-ene-1-thiol?
The IUPAC name of 2-ethyl-4-methylidenehept-6-ene-1-thiol (CID 91523467) is 2-ethyl-4-methylidenehept-6-ene-1-thiol.
What is the SMILES notation for 2-ethyl-4-methylidenehept-6-ene-1-thiol?
The canonical SMILES for 2-ethyl-4-methylidenehept-6-ene-1-thiol is C=CCC(=C)CC(CC)CS.
What is the InChIKey of 2-ethyl-4-methylidenehept-6-ene-1-thiol?
The InChIKey is FEYRISVXKWCGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-4-6-9(3)7-10(5-2)8-11/h4,10-11H,1,3,5-8H2,2H3.
What are the key properties of 2-ethyl-4-methylidenehept-6-ene-1-thiol?
2-ethyl-4-methylidenehept-6-ene-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylidenehept-6-ene-1-thiol is sourced from PubChem (CID 91523467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).