ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane

C13H20S — CID 142264931

IUPACethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane
SMILESC=S(=C)(CC)c1cccc(C(C)C)c1
InChIInChI=1S/C13H20S/c1-6-14(4,5)13-9-7-8-12(10-13)11(2)3/h7-11H,4-6H2,1-3H3
InChIKeyGDPYIUKPKGLETB-UHFFFAOYSA-N
MW208.37 g/mol
LogP3.86
Rot. Bonds3

About ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane

ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane (PubChem CID 142264931) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane.

Molecular Properties

Compound Nameethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane
PubChem CID142264931
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Nameethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane
SMILESC=S(=C)(CC)c1cccc(C(C)C)c1
InChIInChI=1S/C13H20S/c1-6-14(4,5)13-9-7-8-12(10-13)11(2)3/h7-11H,4-6H2,1-3H3
InChIKeyGDPYIUKPKGLETB-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
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ethane;1-(2-methoxyethylsulfonyl)-3-propan-2-ylbenzene
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1,3-di(propan-2-yl)benzene;sulfuryl dichloride
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N-[(2R)-2-(ethylamino)propyl]-3-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120664627
N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
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2-(dibutylamino)ethanol;3-propan-2-ylbenzenesulfonic acid
CID 71655953
N-[(1S)-1-cyanoethyl]-3-propan-2-ylbenzenesulfonamide
CID 97243584
[3-(3-propan-2-ylphenyl)sulfonylcyclobutyl]methanol
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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane?
The IUPAC name of ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane (CID 142264931) is ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane.
What is the SMILES notation for ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane?
The canonical SMILES for ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane is C=S(=C)(CC)c1cccc(C(C)C)c1.
What is the InChIKey of ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane?
The InChIKey is GDPYIUKPKGLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-6-14(4,5)13-9-7-8-12(10-13)11(2)3/h7-11H,4-6H2,1-3H3.
What are the key properties of ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane?
ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane has a molecular weight of 208.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethylidene-(3-propan-2-ylphenyl)-λ6-sulfane is sourced from PubChem (CID 142264931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).