9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene

C19H12Cl2OS — CID 154016335

IUPAC9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene
SMILESClc1cccc(SC2c3ccccc3Oc3ccccc32)c1Cl
InChIInChI=1S/C19H12Cl2OS/c20-14-8-5-11-17(18(14)21)23-19-12-6-1-3-9-15(12)22-16-10-4-2-7-13(16)19/h1-11,19H
InChIKeyZCVZOMBCZVHEBO-UHFFFAOYSA-N
MW359.28 g/mol
LogP6.98
Rot. Bonds2

About 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene

9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene (PubChem CID 154016335) has the molecular formula C19H12Cl2OS and a molecular weight of 359.28 g/mol. Its IUPAC name is 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene.

Molecular Properties

Compound Name9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene
PubChem CID154016335
Molecular FormulaC19H12Cl2OS
Molecular Weight359.28 g/mol
Exact Mass358.00
IUPAC Name9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene
SMILESClc1cccc(SC2c3ccccc3Oc3ccccc32)c1Cl
InChIInChI=1S/C19H12Cl2OS/c20-14-8-5-11-17(18(14)21)23-19-12-6-1-3-9-15(12)22-16-10-4-2-7-13(16)19/h1-11,19H
InChIKeyZCVZOMBCZVHEBO-UHFFFAOYSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.28
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(benzenesulfonyl)-2-chloro-9H-xanthene
CID 3677839
4-(2,5-Dichlorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633776
4-(2-Chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633778
4-(2-Chlorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
CID 20633779
9H-Xanthene, 9-(phenylthio)-
CID 730871
2-Benzyl-3,7,8-trichlorophenoxathiine
CID 19906762
9-(4-chlorophenyl)sulfanyl-9H-xanthene
CID 44884456
3-chloro-1-phenoxy-9H-thioxanthene 10-oxide
CID 67781200
4-(4-Chlorophenyl)phenoxathiine
CID 118134295
3-(4-chlorophenyl)-2-(4-methylsulfanylphenyl)-4H-chromene
CID 141021120
1-(2,3-dichlorophenyl)sulfanyl-9H-xanthene
CID 174968383
1-(4-chlorophenyl)sulfanyl-9H-xanthene
CID 174969588

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
The IUPAC name of 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene (CID 154016335) is 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene.
What is the SMILES notation for 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
The canonical SMILES for 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene is Clc1cccc(SC2c3ccccc3Oc3ccccc32)c1Cl.
What is the InChIKey of 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
The InChIKey is ZCVZOMBCZVHEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2OS/c20-14-8-5-11-17(18(14)21)23-19-12-6-1-3-9-15(12)22-16-10-4-2-7-13(16)19/h1-11,19H.
What are the key properties of 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene?
9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene has a molecular weight of 359.28 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dichlorophenyl)sulfanyl-9H-xanthene is sourced from PubChem (CID 154016335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).