(E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol

C12H22SSe — CID 134893981

IUPAC(E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol
SMILESCC(C)C[Se]/C(S)=C/C1CCCCC1
InChIInChI=1S/C12H22SSe/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h8,10-11,13H,3-7,9H2,1-2H3/b12-8+
InChIKeyMNCXQWKFNHEGGN-XYOKQWHBSA-N
MW277.33 g/mol
LogP4.12
Rot. Bonds4

About (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol

(E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol (PubChem CID 134893981) has the molecular formula C12H22SSe and a molecular weight of 277.33 g/mol. Its IUPAC name is (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol.

Molecular Properties

Compound Name(E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol
PubChem CID134893981
Molecular FormulaC12H22SSe
Molecular Weight277.33 g/mol
Exact Mass278.06
IUPAC Name(E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol
SMILESCC(C)C[Se]/C(S)=C/C1CCCCC1
InChIInChI=1S/C12H22SSe/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h8,10-11,13H,3-7,9H2,1-2H3/b12-8+
InChIKeyMNCXQWKFNHEGGN-XYOKQWHBSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol 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

lithium (Z)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134873087
lithium (Z)-2-cyclohexyl-1-methylselanylethenethiolate
CID 134873206
lithium (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiolate
CID 134893980
[(E)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134919481
[(E)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134919600
[(E)-2-ethylsulfanyl-2-(2-methylpropylselanyl)ethenyl]cyclohexane
CID 134919703
[(E)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134919893
[(Z)-2-ethylsulfanyl-2-methylselanylethenyl]cyclohexane
CID 134923104
[(Z)-2-(2-methylpropylselanyl)-2-methylsulfanylethenyl]cyclohexane
CID 134923277
[(Z)-2-methylselanyl-2-methylsulfanylethenyl]cyclohexane
CID 134923315
1-(4-Methylcyclohexyl)ethenethiol
CID 144413639
1-Cyclohexylethenethiol;ethane
CID 178645885

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol?
The IUPAC name of (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol (CID 134893981) is (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol.
What is the SMILES notation for (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol?
The canonical SMILES for (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol is CC(C)C[Se]/C(S)=C/C1CCCCC1.
What is the InChIKey of (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol?
The InChIKey is MNCXQWKFNHEGGN-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H22SSe/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h8,10-11,13H,3-7,9H2,1-2H3/b12-8+.
What are the key properties of (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol?
(E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol has a molecular weight of 277.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-1-(2-methylpropylselanyl)ethenethiol is sourced from PubChem (CID 134893981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).