3-chloro-2-propoxy-9H-thioxanthene 10-oxide

C16H15ClO2S — CID 67095766

IUPAC3-chloro-2-propoxy-9H-thioxanthene 10-oxide
SMILESCCCOc1cc2c(cc1Cl)S(=O)c1ccccc1C2
InChIInChI=1S/C16H15ClO2S/c1-2-7-19-14-9-12-8-11-5-3-4-6-15(11)20(18)16(12)10-13(14)17/h3-6,9-10H,2,7-8H2,1H3
InChIKeyPQIGRAAAZARDCD-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.20
Rot. Bonds3

About 3-chloro-2-propoxy-9H-thioxanthene 10-oxide

3-chloro-2-propoxy-9H-thioxanthene 10-oxide (PubChem CID 67095766) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 3-chloro-2-propoxy-9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name3-chloro-2-propoxy-9H-thioxanthene 10-oxide
PubChem CID67095766
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name3-chloro-2-propoxy-9H-thioxanthene 10-oxide
SMILESCCCOc1cc2c(cc1Cl)S(=O)c1ccccc1C2
InChIInChI=1S/C16H15ClO2S/c1-2-7-19-14-9-12-8-11-5-3-4-6-15(11)20(18)16(12)10-13(14)17/h3-6,9-10H,2,7-8H2,1H3
InChIKeyPQIGRAAAZARDCD-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propoxy-9H-thioxanthene 10-oxide
CID 67057427
1-chloro-3-methyl-4-propoxy-9H-thioxanthene 10-oxide
CID 67095502
1,2-dichloro-4-dodecoxy-9H-thioxanthene 10-oxide
CID 68534658
3-(bromomethyl)-2-methoxy-9H-thioxanthene 10-oxide
CID 66886801
3-methyl-9H-thioxanthene 10-oxide
CID 66885365
1-propoxy-10H-anthracen-9-one
CID 70009381
4-propoxy-10H-anthracen-9-one
CID 102119580
2,3,6,7-tetradodecoxy-10H-anthracen-9-one
CID 137441076
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
1-chloro-4-propoxy-9H-thioxanthene
CID 67047516
10-oxo-9H-thioxanthene-3-carbonitrile
CID 70623834
[6,13,20-tripropoxy-12,19-bis(pyridine-4-carbonyloxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl] pyridine-4-carboxylate
CID 102142576

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propoxy-9H-thioxanthene 10-oxide?
The IUPAC name of 3-chloro-2-propoxy-9H-thioxanthene 10-oxide (CID 67095766) is 3-chloro-2-propoxy-9H-thioxanthene 10-oxide.
What is the SMILES notation for 3-chloro-2-propoxy-9H-thioxanthene 10-oxide?
The canonical SMILES for 3-chloro-2-propoxy-9H-thioxanthene 10-oxide is CCCOc1cc2c(cc1Cl)S(=O)c1ccccc1C2.
What is the InChIKey of 3-chloro-2-propoxy-9H-thioxanthene 10-oxide?
The InChIKey is PQIGRAAAZARDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-2-7-19-14-9-12-8-11-5-3-4-6-15(11)20(18)16(12)10-13(14)17/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 3-chloro-2-propoxy-9H-thioxanthene 10-oxide?
3-chloro-2-propoxy-9H-thioxanthene 10-oxide has a molecular weight of 306.81 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propoxy-9H-thioxanthene 10-oxide is sourced from PubChem (CID 67095766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).