10-tricyclo[5.2.1.02,6]decanylmethanethiol

C11H18S — CID 89269656

IUPAC10-tricyclo[5.2.1.02,6]decanylmethanethiol
SMILESSCC1C2CCC1C1CCCC21
InChIInChI=1S/C11H18S/c12-6-11-9-4-5-10(11)8-3-1-2-7(8)9/h7-12H,1-6H2
InChIKeyZHGQMOSBGZQDPK-UHFFFAOYSA-N
MW182.33 g/mol
LogP2.99
Rot. Bonds1

About 10-tricyclo[5.2.1.02,6]decanylmethanethiol

10-tricyclo[5.2.1.02,6]decanylmethanethiol (PubChem CID 89269656) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 10-tricyclo[5.2.1.02,6]decanylmethanethiol.

Molecular Properties

Compound Name10-tricyclo[5.2.1.02,6]decanylmethanethiol
PubChem CID89269656
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name10-tricyclo[5.2.1.02,6]decanylmethanethiol
SMILESSCC1C2CCC1C1CCCC21
InChIInChI=1S/C11H18S/c12-6-11-9-4-5-10(11)8-3-1-2-7(8)9/h7-12H,1-6H2
InChIKeyZHGQMOSBGZQDPK-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-tricyclo[5.2.1.02,6]decanylmethanethiol?
The IUPAC name of 10-tricyclo[5.2.1.02,6]decanylmethanethiol (CID 89269656) is 10-tricyclo[5.2.1.02,6]decanylmethanethiol.
What is the SMILES notation for 10-tricyclo[5.2.1.02,6]decanylmethanethiol?
The canonical SMILES for 10-tricyclo[5.2.1.02,6]decanylmethanethiol is SCC1C2CCC1C1CCCC21.
What is the InChIKey of 10-tricyclo[5.2.1.02,6]decanylmethanethiol?
The InChIKey is ZHGQMOSBGZQDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c12-6-11-9-4-5-10(11)8-3-1-2-7(8)9/h7-12H,1-6H2.
What are the key properties of 10-tricyclo[5.2.1.02,6]decanylmethanethiol?
10-tricyclo[5.2.1.02,6]decanylmethanethiol has a molecular weight of 182.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tricyclo[5.2.1.02,6]decanylmethanethiol is sourced from PubChem (CID 89269656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).