CID 162412032

C14H12NS — CID 162412032

IUPAC—
SMILES[N]=C(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyTXUTZBSROJPOGV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.07
Rot. Bonds4

About CID 162412032

CID 162412032 (PubChem CID 162412032) has the molecular formula C14H12NS and a molecular weight of 226.32 g/mol.

Molecular Properties

Compound NameCID 162412032
PubChem CID162412032
Molecular FormulaC14H12NS
Molecular Weight226.32 g/mol
Exact Mass226.07
IUPAC Name—
SMILES[N]=C(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C14H12NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyTXUTZBSROJPOGV-UHFFFAOYSA-N
XLogP3.07
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 162412032?
The IUPAC name of CID 162412032 (CID 162412032) is not available.
What is the SMILES notation for CID 162412032?
The canonical SMILES for CID 162412032 is [N]=C(CSc1ccccc1)c1ccccc1.
What is the InChIKey of CID 162412032?
The InChIKey is TXUTZBSROJPOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of CID 162412032?
CID 162412032 has a molecular weight of 226.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162412032 is sourced from PubChem (CID 162412032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).