1-chloro-4-propylsulfanyl-9H-xanthene

C16H15ClOS — CID 90376476

IUPAC1-chloro-4-propylsulfanyl-9H-xanthene
SMILESCCCSc1ccc(Cl)c2c1Oc1ccccc1C2
InChIInChI=1S/C16H15ClOS/c1-2-9-19-15-8-7-13(17)12-10-11-5-3-4-6-14(11)18-16(12)15/h3-8H,2,9-10H2,1H3
InChIKeyAJNHIVMACBYNAO-UHFFFAOYSA-N
MW290.81 g/mol
LogP5.54
Rot. Bonds3

About 1-chloro-4-propylsulfanyl-9H-xanthene

1-chloro-4-propylsulfanyl-9H-xanthene (PubChem CID 90376476) has the molecular formula C16H15ClOS and a molecular weight of 290.81 g/mol. Its IUPAC name is 1-chloro-4-propylsulfanyl-9H-xanthene.

Molecular Properties

Compound Name1-chloro-4-propylsulfanyl-9H-xanthene
PubChem CID90376476
Molecular FormulaC16H15ClOS
Molecular Weight290.81 g/mol
Exact Mass290.05
IUPAC Name1-chloro-4-propylsulfanyl-9H-xanthene
SMILESCCCSc1ccc(Cl)c2c1Oc1ccccc1C2
InChIInChI=1S/C16H15ClOS/c1-2-9-19-15-8-7-13(17)12-10-11-5-3-4-6-14(11)18-16(12)15/h3-8H,2,9-10H2,1H3
InChIKeyAJNHIVMACBYNAO-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.81
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-propylsulfanyl-9H-xanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Chlorophenyl)-5-fluoro-2-methoxy-3-methylsulfanylbenzene
CID 59378216
3,7-Dichloro-2-(trifluoromethyl)phenoxathiine
CID 67908916
(4R)-4-(4-chlorophenyl)sulfanyl-5,8-difluoro-3,4-dihydro-2H-chromene
CID 70315702
8-Benzylsulfanyl-5-chloro-4,4-difluoro-2,3-dihydrochromene
CID 138520596
(4aR,10bR)-10b-(4-chlorophenyl)sulfanyl-7,10-difluoro-2,3,4a,5-tetrahydro-1H-thiopyrano[2,3-c]chromene
CID 163900787
6-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-2H-chromene
CID 21829444
2-Chloro-8-methylphenoxathiine
CID 85966246
7-Chloro-2-methylphenoxathiine
CID 145925851
3-Chloro-7-methylphenoxathiine
CID 145925862
1-Chloro-2-[(4-ethoxyphenyl)methyl]-4-(methylthio)benzene
CID 154715923
(4E)-6-chloro-4-[(4-chlorophenyl)sulfanylmethylidene]-2,3-dihydrochromene
CID 178325703
(2-(BenZyloxy)-4-chloro-5-fluorophenyl)(methyl)sulfane
CID 171366928

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propylsulfanyl-9H-xanthene?
The IUPAC name of 1-chloro-4-propylsulfanyl-9H-xanthene (CID 90376476) is 1-chloro-4-propylsulfanyl-9H-xanthene.
What is the SMILES notation for 1-chloro-4-propylsulfanyl-9H-xanthene?
The canonical SMILES for 1-chloro-4-propylsulfanyl-9H-xanthene is CCCSc1ccc(Cl)c2c1Oc1ccccc1C2.
What is the InChIKey of 1-chloro-4-propylsulfanyl-9H-xanthene?
The InChIKey is AJNHIVMACBYNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c1-2-9-19-15-8-7-13(17)12-10-11-5-3-4-6-14(11)18-16(12)15/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-chloro-4-propylsulfanyl-9H-xanthene?
1-chloro-4-propylsulfanyl-9H-xanthene has a molecular weight of 290.81 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propylsulfanyl-9H-xanthene is sourced from PubChem (CID 90376476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).