2-chloro-2-phenyl-3,4-dihydrothiochromene

C15H13ClS — CID 70578232

IUPAC2-chloro-2-phenyl-3,4-dihydrothiochromene
SMILESClC1(c2ccccc2)CCc2ccccc2S1
InChIInChI=1S/C15H13ClS/c16-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)17-15/h1-9H,10-11H2
InChIKeyVIYXSENDIWOLIW-UHFFFAOYSA-N
MW260.79 g/mol
LogP4.82
Rot. Bonds1

About 2-chloro-2-phenyl-3,4-dihydrothiochromene

2-chloro-2-phenyl-3,4-dihydrothiochromene (PubChem CID 70578232) has the molecular formula C15H13ClS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-chloro-2-phenyl-3,4-dihydrothiochromene.

Molecular Properties

Compound Name2-chloro-2-phenyl-3,4-dihydrothiochromene
PubChem CID70578232
Molecular FormulaC15H13ClS
Molecular Weight260.79 g/mol
Exact Mass260.04
IUPAC Name2-chloro-2-phenyl-3,4-dihydrothiochromene
SMILESClC1(c2ccccc2)CCc2ccccc2S1
InChIInChI=1S/C15H13ClS/c16-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)17-15/h1-9H,10-11H2
InChIKeyVIYXSENDIWOLIW-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-3,4-dihydrothiochromene?
The IUPAC name of 2-chloro-2-phenyl-3,4-dihydrothiochromene (CID 70578232) is 2-chloro-2-phenyl-3,4-dihydrothiochromene.
What is the SMILES notation for 2-chloro-2-phenyl-3,4-dihydrothiochromene?
The canonical SMILES for 2-chloro-2-phenyl-3,4-dihydrothiochromene is ClC1(c2ccccc2)CCc2ccccc2S1.
What is the InChIKey of 2-chloro-2-phenyl-3,4-dihydrothiochromene?
The InChIKey is VIYXSENDIWOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClS/c16-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)17-15/h1-9H,10-11H2.
What are the key properties of 2-chloro-2-phenyl-3,4-dihydrothiochromene?
2-chloro-2-phenyl-3,4-dihydrothiochromene has a molecular weight of 260.79 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-3,4-dihydrothiochromene is sourced from PubChem (CID 70578232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).