(3-phenyl-2H-thiopyran-2-yl) perchlorate

C11H9ClO4S — CID 139605408

IUPAC(3-phenyl-2H-thiopyran-2-yl) perchlorate
SMILES[O-][Cl+3]([O-])([O-])OC1SC=CC=C1c1ccccc1
InChIInChI=1S/C11H9ClO4S/c13-12(14,15)16-11-10(7-4-8-17-11)9-5-2-1-3-6-9/h1-8,11H
InChIKeyJJJHVTWNFUVHAO-UHFFFAOYSA-N
MW272.71 g/mol
LogP-0.43
Rot. Bonds3

About (3-phenyl-2H-thiopyran-2-yl) perchlorate

(3-phenyl-2H-thiopyran-2-yl) perchlorate (PubChem CID 139605408) has the molecular formula C11H9ClO4S and a molecular weight of 272.71 g/mol. Its IUPAC name is (3-phenyl-2H-thiopyran-2-yl) perchlorate.

Molecular Properties

Compound Name(3-phenyl-2H-thiopyran-2-yl) perchlorate
PubChem CID139605408
Molecular FormulaC11H9ClO4S
Molecular Weight272.71 g/mol
Exact Mass271.99
IUPAC Name(3-phenyl-2H-thiopyran-2-yl) perchlorate
SMILES[O-][Cl+3]([O-])([O-])OC1SC=CC=C1c1ccccc1
InChIInChI=1S/C11H9ClO4S/c13-12(14,15)16-11-10(7-4-8-17-11)9-5-2-1-3-6-9/h1-8,11H
InChIKeyJJJHVTWNFUVHAO-UHFFFAOYSA-N
XLogP-0.43
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2H-thiopyran-2-yl) perchlorate?
The IUPAC name of (3-phenyl-2H-thiopyran-2-yl) perchlorate (CID 139605408) is (3-phenyl-2H-thiopyran-2-yl) perchlorate.
What is the SMILES notation for (3-phenyl-2H-thiopyran-2-yl) perchlorate?
The canonical SMILES for (3-phenyl-2H-thiopyran-2-yl) perchlorate is [O-][Cl+3]([O-])([O-])OC1SC=CC=C1c1ccccc1.
What is the InChIKey of (3-phenyl-2H-thiopyran-2-yl) perchlorate?
The InChIKey is JJJHVTWNFUVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO4S/c13-12(14,15)16-11-10(7-4-8-17-11)9-5-2-1-3-6-9/h1-8,11H.
What are the key properties of (3-phenyl-2H-thiopyran-2-yl) perchlorate?
(3-phenyl-2H-thiopyran-2-yl) perchlorate has a molecular weight of 272.71 g/mol, XLogP of -0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2H-thiopyran-2-yl) perchlorate is sourced from PubChem (CID 139605408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).