CID 91433916

C14H14S — CID 91433916

IUPAC—
SMILES[CH2-]c1ccc(-c2cccs2)cc1C[CH+]C
InChIInChI=1S/C14H14S/c1-3-5-12-10-13(8-7-11(12)2)14-6-4-9-15-14/h3-4,6-10H,2,5H2,1H3
InChIKeyGHKOYFWCLCJWAP-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.36
Rot. Bonds3

About CID 91433916

CID 91433916 (PubChem CID 91433916) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol.

Molecular Properties

Compound NameCID 91433916
PubChem CID91433916
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name—
SMILES[CH2-]c1ccc(-c2cccs2)cc1C[CH+]C
InChIInChI=1S/C14H14S/c1-3-5-12-10-13(8-7-11(12)2)14-6-4-9-15-14/h3-4,6-10H,2,5H2,1H3
InChIKeyGHKOYFWCLCJWAP-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91433916?
The IUPAC name of CID 91433916 (CID 91433916) is not available.
What is the SMILES notation for CID 91433916?
The canonical SMILES for CID 91433916 is [CH2-]c1ccc(-c2cccs2)cc1C[CH+]C.
What is the InChIKey of CID 91433916?
The InChIKey is GHKOYFWCLCJWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-3-5-12-10-13(8-7-11(12)2)14-6-4-9-15-14/h3-4,6-10H,2,5H2,1H3.
What are the key properties of CID 91433916?
CID 91433916 has a molecular weight of 214.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91433916 is sourced from PubChem (CID 91433916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).