2-propoxy-9H-thioxanthene 10-oxide

C16H16O2S — CID 67057427

IUPAC2-propoxy-9H-thioxanthene 10-oxide
SMILESCCCOc1ccc2c(c1)Cc1ccccc1S2=O
InChIInChI=1S/C16H16O2S/c1-2-9-18-14-7-8-16-13(11-14)10-12-5-3-4-6-15(12)19(16)17/h3-8,11H,2,9-10H2,1H3
InChIKeyXTINGKUWACAMEN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.55
Rot. Bonds3

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

2-propoxy-9H-thioxanthene 10-oxide (PubChem CID 67057427) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-propoxy-9H-thioxanthene 10-oxide.

Molecular Properties

Compound Name2-propoxy-9H-thioxanthene 10-oxide
PubChem CID67057427
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-propoxy-9H-thioxanthene 10-oxide
SMILESCCCOc1ccc2c(c1)Cc1ccccc1S2=O
InChIInChI=1S/C16H16O2S/c1-2-9-18-14-7-8-16-13(11-14)10-12-5-3-4-6-15(12)19(16)17/h3-8,11H,2,9-10H2,1H3
InChIKeyXTINGKUWACAMEN-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-propoxy-9H-thioxanthene 10-oxide
CID 67095766
3-methyl-9H-thioxanthene 10-oxide
CID 66885365
1-chloro-3-methyl-4-propoxy-9H-thioxanthene 10-oxide
CID 67095502
3-(bromomethyl)-2-methoxy-9H-thioxanthene 10-oxide
CID 66886801
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
6-propoxy-3H-2-benzothiophen-1-one
CID 13370347
25,27-bis(bromomethyl)-5,17,26,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
CID 100992656
1-propoxy-10H-anthracen-9-one
CID 70009381
10-oxo-9H-thioxanthene-3-carbonitrile
CID 70623834
N-[2-[5-oxo-8-[2-(propylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]propan-1-amine
CID 67164021
5-[(7-propoxy-9H-fluoren-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 23527521
diphenylmethanone;9H-thioxanthene 10-oxide
CID 66607485

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-9H-thioxanthene 10-oxide?
The IUPAC name of 2-propoxy-9H-thioxanthene 10-oxide (CID 67057427) is 2-propoxy-9H-thioxanthene 10-oxide.
What is the SMILES notation for 2-propoxy-9H-thioxanthene 10-oxide?
The canonical SMILES for 2-propoxy-9H-thioxanthene 10-oxide is CCCOc1ccc2c(c1)Cc1ccccc1S2=O.
What is the InChIKey of 2-propoxy-9H-thioxanthene 10-oxide?
The InChIKey is XTINGKUWACAMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-2-9-18-14-7-8-16-13(11-14)10-12-5-3-4-6-15(12)19(16)17/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-propoxy-9H-thioxanthene 10-oxide?
2-propoxy-9H-thioxanthene 10-oxide has a molecular weight of 272.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-9H-thioxanthene 10-oxide is sourced from PubChem (CID 67057427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).