CID 18430459

C14H25S+ — CID 18430459

IUPAC—
SMILESCC1C=C(C(C)(C)C)[S+]=C(C(C)(C)C)C1
InChIInChI=1S/C14H25S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8,10H,9H2,1-7H3/q+1
InChIKeyVPHHSXMIPIKNHH-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.26
Rot. Bonds

About CID 18430459

CID 18430459 (PubChem CID 18430459) has the molecular formula C14H25S+ and a molecular weight of 225.42 g/mol.

Molecular Properties

Compound NameCID 18430459
PubChem CID18430459
Molecular FormulaC14H25S+
Molecular Weight225.42 g/mol
Exact Mass225.17
IUPAC Name—
SMILESCC1C=C(C(C)(C)C)[S+]=C(C(C)(C)C)C1
InChIInChI=1S/C14H25S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8,10H,9H2,1-7H3/q+1
InChIKeyVPHHSXMIPIKNHH-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 18430459?
The IUPAC name of CID 18430459 (CID 18430459) is not available.
What is the SMILES notation for CID 18430459?
The canonical SMILES for CID 18430459 is CC1C=C(C(C)(C)C)[S+]=C(C(C)(C)C)C1.
What is the InChIKey of CID 18430459?
The InChIKey is VPHHSXMIPIKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25S/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8,10H,9H2,1-7H3/q+1.
What are the key properties of CID 18430459?
CID 18430459 has a molecular weight of 225.42 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18430459 is sourced from PubChem (CID 18430459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).