2-chloro-9,9-dimethylthioxanthene

C15H13ClS — CID 172804751

IUPAC2-chloro-9,9-dimethylthioxanthene
SMILESCC1(C)c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClS/c1-15(2)11-5-3-4-6-13(11)17-14-8-7-10(16)9-12(14)15/h3-9H,1-2H3
InChIKeyRIVSCDILVLVWFI-UHFFFAOYSA-N
MW260.79 g/mol
LogP5.13
Rot. Bonds

About 2-chloro-9,9-dimethylthioxanthene

2-chloro-9,9-dimethylthioxanthene (PubChem CID 172804751) has the molecular formula C15H13ClS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-chloro-9,9-dimethylthioxanthene.

Molecular Properties

Compound Name2-chloro-9,9-dimethylthioxanthene
PubChem CID172804751
Molecular FormulaC15H13ClS
Molecular Weight260.79 g/mol
Exact Mass260.04
IUPAC Name2-chloro-9,9-dimethylthioxanthene
SMILESCC1(C)c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C15H13ClS/c1-15(2)11-5-3-4-6-13(11)17-14-8-7-10(16)9-12(14)15/h3-9H,1-2H3
InChIKeyRIVSCDILVLVWFI-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.79
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(9,9-dimethylthioxanthen-2-yl)boronic acid
CID 163509290
2-(3-bromophenyl)-9,9-dimethylthioxanthene
CID 166679111
2'-chlorospiro[cyclohexane-4,9'-thioxanthene]-1-one
CID 12897976
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
(Z)-1-(9,9-dimethylthioxanthen-2-yl)-4-phenylbut-2-ene-1,4-diimine
CID 166908314
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
10,10-dimethyl-14,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 145441815
2'-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-9,9-dimethylspiro[anthracene-10,9'-thioxanthene]
CID 166995957
(7-chlorospiro[fluorene-9,9'-thioxanthene]-4-yl)boronic acid
CID 167364646
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
9-chlorospiro[benzo[a]phenalene-7,9'-thioxanthene]
CID 164794317
(9,9-dimethylthioxanthen-4-yl)boronic acid
CID 123294352

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9,9-dimethylthioxanthene?
The IUPAC name of 2-chloro-9,9-dimethylthioxanthene (CID 172804751) is 2-chloro-9,9-dimethylthioxanthene.
What is the SMILES notation for 2-chloro-9,9-dimethylthioxanthene?
The canonical SMILES for 2-chloro-9,9-dimethylthioxanthene is CC1(C)c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-9,9-dimethylthioxanthene?
The InChIKey is RIVSCDILVLVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClS/c1-15(2)11-5-3-4-6-13(11)17-14-8-7-10(16)9-12(14)15/h3-9H,1-2H3.
What are the key properties of 2-chloro-9,9-dimethylthioxanthene?
2-chloro-9,9-dimethylthioxanthene has a molecular weight of 260.79 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9,9-dimethylthioxanthene is sourced from PubChem (CID 172804751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).