2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione

C11H18SSi — CID 134881533

IUPAC2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione
SMILESC[Si](C)(C)C(=S)C1CC2C=CC1C2
InChIInChI=1S/C11H18SSi/c1-13(2,3)11(12)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZLBZGVOHRSWZTO-UHFFFAOYSA-N
MW210.42 g/mol
LogP3.45
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione

2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione (PubChem CID 134881533) has the molecular formula C11H18SSi and a molecular weight of 210.42 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione
PubChem CID134881533
Molecular FormulaC11H18SSi
Molecular Weight210.42 g/mol
Exact Mass210.09
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione
SMILESC[Si](C)(C)C(=S)C1CC2C=CC1C2
InChIInChI=1S/C11H18SSi/c1-13(2,3)11(12)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZLBZGVOHRSWZTO-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, triethyl-5-norbornen-2-yl-
CID 574755
Silane, bicyclo[2.2.1]hept-5-en-2-yltrimethyl-
CID 10329681
Trimethylsilylnorbornene
CID 66700380
1,2,3,3a,6,6a-Hexahydropentalen-1-ylmethyl(trimethyl)silane
CID 14004181
5-[(Methylsilacyclobutyl)methyl]norbornene
CID 85667010
7-Trimethylsilylbicyclo[2,2,1]hept-2-ene
CID 129688877
(Methyldiisopropylsilyl)norbornene
CID 129773620
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane
CID 134991920
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trimethylsilane
CID 134992011
Trimethyl(3-tricyclo[4.2.1.02,5]nona-3,7-dienyl)silane
CID 101559125
2-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl-trimethylsilane
CID 18506377
CID 20789481
CID 20789481

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione (CID 134881533) is 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione is C[Si](C)(C)C(=S)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione?
The InChIKey is ZLBZGVOHRSWZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18SSi/c1-13(2,3)11(12)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione?
2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione has a molecular weight of 210.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl(trimethylsilyl)methanethione is sourced from PubChem (CID 134881533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).