(4-cyclohexylcycloheptyl)methanethiol

C14H26S — CID 154979305

IUPAC(4-cyclohexylcycloheptyl)methanethiol
SMILESSCC1CCCC(C2CCCCC2)CC1
InChIInChI=1S/C14H26S/c15-11-12-5-4-8-14(10-9-12)13-6-2-1-3-7-13/h12-15H,1-11H2
InChIKeyTUDFYIZAZACLIM-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.69
Rot. Bonds2

About (4-cyclohexylcycloheptyl)methanethiol

(4-cyclohexylcycloheptyl)methanethiol (PubChem CID 154979305) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is (4-cyclohexylcycloheptyl)methanethiol.

Molecular Properties

Compound Name(4-cyclohexylcycloheptyl)methanethiol
PubChem CID154979305
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name(4-cyclohexylcycloheptyl)methanethiol
SMILESSCC1CCCC(C2CCCCC2)CC1
InChIInChI=1S/C14H26S/c15-11-12-5-4-8-14(10-9-12)13-6-2-1-3-7-13/h12-15H,1-11H2
InChIKeyTUDFYIZAZACLIM-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.69
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 (4-cyclohexylcycloheptyl)methanethiol?
The IUPAC name of (4-cyclohexylcycloheptyl)methanethiol (CID 154979305) is (4-cyclohexylcycloheptyl)methanethiol.
What is the SMILES notation for (4-cyclohexylcycloheptyl)methanethiol?
The canonical SMILES for (4-cyclohexylcycloheptyl)methanethiol is SCC1CCCC(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylcycloheptyl)methanethiol?
The InChIKey is TUDFYIZAZACLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c15-11-12-5-4-8-14(10-9-12)13-6-2-1-3-7-13/h12-15H,1-11H2.
What are the key properties of (4-cyclohexylcycloheptyl)methanethiol?
(4-cyclohexylcycloheptyl)methanethiol has a molecular weight of 226.43 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylcycloheptyl)methanethiol is sourced from PubChem (CID 154979305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).