[8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol

C12H20S2 — CID 71416209

IUPAC[8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol
SMILESSCC1CC2C3CC(CS)C(C3)C2C1
InChIInChI=1S/C12H20S2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2
InChIKeyXPXJIZLGSVGHRG-UHFFFAOYSA-N
MW228.43 g/mol
LogP3.14
Rot. Bonds2

About [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol

[8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol (PubChem CID 71416209) has the molecular formula C12H20S2 and a molecular weight of 228.43 g/mol. Its IUPAC name is [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol.

Molecular Properties

Compound Name[8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol
PubChem CID71416209
Molecular FormulaC12H20S2
Molecular Weight228.43 g/mol
Exact Mass228.10
IUPAC Name[8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol
SMILESSCC1CC2C3CC(CS)C(C3)C2C1
InChIInChI=1S/C12H20S2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2
InChIKeyXPXJIZLGSVGHRG-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
The IUPAC name of [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol (CID 71416209) is [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol.
What is the SMILES notation for [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
The canonical SMILES for [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol is SCC1CC2C3CC(CS)C(C3)C2C1.
What is the InChIKey of [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
The InChIKey is XPXJIZLGSVGHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2.
What are the key properties of [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
[8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol has a molecular weight of 228.43 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(sulfanylmethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol is sourced from PubChem (CID 71416209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).