1-chloro-2-hydroxythioxanthen-9-one

C13H7ClO2S — CID 54045357

IUPAC1-chloro-2-hydroxythioxanthen-9-one
SMILESO=c1c2ccccc2sc2ccc(O)c(Cl)c12
InChIInChI=1S/C13H7ClO2S/c14-12-8(15)5-6-10-11(12)13(16)7-3-1-2-4-9(7)17-10/h1-6,15H
InChIKeyLPEDMVNUGZEVEC-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.77
Rot. Bonds

About 1-chloro-2-hydroxythioxanthen-9-one

1-chloro-2-hydroxythioxanthen-9-one (PubChem CID 54045357) has the molecular formula C13H7ClO2S and a molecular weight of 262.72 g/mol. Its IUPAC name is 1-chloro-2-hydroxythioxanthen-9-one.

Molecular Properties

Compound Name1-chloro-2-hydroxythioxanthen-9-one
PubChem CID54045357
Molecular FormulaC13H7ClO2S
Molecular Weight262.72 g/mol
Exact Mass261.99
IUPAC Name1-chloro-2-hydroxythioxanthen-9-one
SMILESO=c1c2ccccc2sc2ccc(O)c(Cl)c12
InChIInChI=1S/C13H7ClO2S/c14-12-8(15)5-6-10-11(12)13(16)7-3-1-2-4-9(7)17-10/h1-6,15H
InChIKeyLPEDMVNUGZEVEC-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
1,2-dibromothioxanthen-9-one
CID 154349910
9-oxothioxanthene-1,2-dicarboxylic acid
CID 19982995
9-oxothioxanthene-1,2-dicarboxamide
CID 174776414
1-chloro-2-hydroxy-10H-acridin-9-one
CID 131713832
2-amino-1-methylthioxanthen-9-one
CID 10444372
1-(9-oxothioxanthen-1-yl)sulfinylthioxanthen-9-one
CID 69121433
3,4-dihydroxythioxanthen-9-one
CID 146302213
1,3,4-trichloro-2-methylthioxanthen-9-one
CID 151134507
3-hydroxy-1-methylthioxanthen-9-one
CID 56688041
1-ethynylthioxanthen-9-one
CID 172777297
1,1'-biphenyl;thioxanthen-9-one
CID 159774057

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-hydroxythioxanthen-9-one?
The IUPAC name of 1-chloro-2-hydroxythioxanthen-9-one (CID 54045357) is 1-chloro-2-hydroxythioxanthen-9-one.
What is the SMILES notation for 1-chloro-2-hydroxythioxanthen-9-one?
The canonical SMILES for 1-chloro-2-hydroxythioxanthen-9-one is O=c1c2ccccc2sc2ccc(O)c(Cl)c12.
What is the InChIKey of 1-chloro-2-hydroxythioxanthen-9-one?
The InChIKey is LPEDMVNUGZEVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO2S/c14-12-8(15)5-6-10-11(12)13(16)7-3-1-2-4-9(7)17-10/h1-6,15H.
What are the key properties of 1-chloro-2-hydroxythioxanthen-9-one?
1-chloro-2-hydroxythioxanthen-9-one has a molecular weight of 262.72 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-hydroxythioxanthen-9-one is sourced from PubChem (CID 54045357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).