3-chloro-5-methoxy-9H-thioxanthene

C14H11ClOS — CID 21487801

IUPAC3-chloro-5-methoxy-9H-thioxanthene
SMILESCOc1cccc2c1Sc1cc(Cl)ccc1C2
InChIInChI=1S/C14H11ClOS/c1-16-12-4-2-3-10-7-9-5-6-11(15)8-13(9)17-14(10)12/h2-6,8H,7H2,1H3
InChIKeyXZYRZHIEZKLINJ-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.40
Rot. Bonds1

About 3-chloro-5-methoxy-9H-thioxanthene

3-chloro-5-methoxy-9H-thioxanthene (PubChem CID 21487801) has the molecular formula C14H11ClOS and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-chloro-5-methoxy-9H-thioxanthene.

Molecular Properties

Compound Name3-chloro-5-methoxy-9H-thioxanthene
PubChem CID21487801
Molecular FormulaC14H11ClOS
Molecular Weight262.76 g/mol
Exact Mass262.02
IUPAC Name3-chloro-5-methoxy-9H-thioxanthene
SMILESCOc1cccc2c1Sc1cc(Cl)ccc1C2
InChIInChI=1S/C14H11ClOS/c1-16-12-4-2-3-10-7-9-5-6-11(15)8-13(9)17-14(10)12/h2-6,8H,7H2,1H3
InChIKeyXZYRZHIEZKLINJ-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-9H-thioxanthene?
The IUPAC name of 3-chloro-5-methoxy-9H-thioxanthene (CID 21487801) is 3-chloro-5-methoxy-9H-thioxanthene.
What is the SMILES notation for 3-chloro-5-methoxy-9H-thioxanthene?
The canonical SMILES for 3-chloro-5-methoxy-9H-thioxanthene is COc1cccc2c1Sc1cc(Cl)ccc1C2.
What is the InChIKey of 3-chloro-5-methoxy-9H-thioxanthene?
The InChIKey is XZYRZHIEZKLINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS/c1-16-12-4-2-3-10-7-9-5-6-11(15)8-13(9)17-14(10)12/h2-6,8H,7H2,1H3.
What are the key properties of 3-chloro-5-methoxy-9H-thioxanthene?
3-chloro-5-methoxy-9H-thioxanthene has a molecular weight of 262.76 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-9H-thioxanthene is sourced from PubChem (CID 21487801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).