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

C12H19IS — CID 90245055

IUPAC[8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol
SMILESSCC1CC2C3CC(CI)C(C3)C2C1
InChIInChI=1S/C12H19IS/c13-5-9-3-8-4-11(9)12-2-7(6-14)1-10(8)12/h7-12,14H,1-6H2
InChIKeyRSAFTAYSPPEJCL-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.65
Rot. Bonds2

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

[8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol (PubChem CID 90245055) has the molecular formula C12H19IS and a molecular weight of 322.26 g/mol. Its IUPAC name is [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol.

Molecular Properties

Compound Name[8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol
PubChem CID90245055
Molecular FormulaC12H19IS
Molecular Weight322.26 g/mol
Exact Mass322.03
IUPAC Name[8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol
SMILESSCC1CC2C3CC(CI)C(C3)C2C1
InChIInChI=1S/C12H19IS/c13-5-9-3-8-4-11(9)12-2-7(6-14)1-10(8)12/h7-12,14H,1-6H2
InChIKeyRSAFTAYSPPEJCL-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
The IUPAC name of [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol (CID 90245055) is [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol.
What is the SMILES notation for [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
The canonical SMILES for [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol is SCC1CC2C3CC(CI)C(C3)C2C1.
What is the InChIKey of [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
The InChIKey is RSAFTAYSPPEJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IS/c13-5-9-3-8-4-11(9)12-2-7(6-14)1-10(8)12/h7-12,14H,1-6H2.
What are the key properties of [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol?
[8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol has a molecular weight of 322.26 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(iodomethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanethiol is sourced from PubChem (CID 90245055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).