1-prop-2-enylsulfanyladamantane

C13H20S — CID 10703602

IUPAC1-prop-2-enylsulfanyladamantane
SMILESC=CCSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20S/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2
InChIKeyIRHZBMAPGBKJQJ-UHFFFAOYSA-N
MW208.37 g/mol
LogP3.87
Rot. Bonds3

About 1-prop-2-enylsulfanyladamantane

1-prop-2-enylsulfanyladamantane (PubChem CID 10703602) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 1-prop-2-enylsulfanyladamantane.

Molecular Properties

Compound Name1-prop-2-enylsulfanyladamantane
PubChem CID10703602
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name1-prop-2-enylsulfanyladamantane
SMILESC=CCSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20S/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2
InChIKeyIRHZBMAPGBKJQJ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Adamantyl-ethyl-prop-2-enylsulfanium tetrafluoroborate
CID 134928541
adamantane;3H-dithiole
CID 135383281
2-Prop-2-enylsulfanyladamantane
CID 12386086
1-Prop-2-enylsulfonyladamantane
CID 12794402
1-Adamantyl-ethyl-prop-2-enylsulfanium
CID 134928542
1-Prop-2-enylsulfinyladamantane
CID 166254118

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanyladamantane?
The IUPAC name of 1-prop-2-enylsulfanyladamantane (CID 10703602) is 1-prop-2-enylsulfanyladamantane.
What is the SMILES notation for 1-prop-2-enylsulfanyladamantane?
The canonical SMILES for 1-prop-2-enylsulfanyladamantane is C=CCSC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-prop-2-enylsulfanyladamantane?
The InChIKey is IRHZBMAPGBKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13/h2,10-12H,1,3-9H2.
What are the key properties of 1-prop-2-enylsulfanyladamantane?
1-prop-2-enylsulfanyladamantane has a molecular weight of 208.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanyladamantane is sourced from PubChem (CID 10703602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).