1-chloro-4-propoxy-9H-thioxanthene

C16H15ClOS — CID 67047516

IUPAC1-chloro-4-propoxy-9H-thioxanthene
SMILESCCCOc1ccc(Cl)c2c1Sc1ccccc1C2
InChIInChI=1S/C16H15ClOS/c1-2-9-18-14-8-7-13(17)12-10-11-5-3-4-6-15(11)19-16(12)14/h3-8H,2,9-10H2,1H3
InChIKeyYYFQQUPKQHVAMF-UHFFFAOYSA-N
MW290.81 g/mol
LogP5.18
Rot. Bonds3

About 1-chloro-4-propoxy-9H-thioxanthene

1-chloro-4-propoxy-9H-thioxanthene (PubChem CID 67047516) has the molecular formula C16H15ClOS and a molecular weight of 290.81 g/mol. Its IUPAC name is 1-chloro-4-propoxy-9H-thioxanthene.

Molecular Properties

Compound Name1-chloro-4-propoxy-9H-thioxanthene
PubChem CID67047516
Molecular FormulaC16H15ClOS
Molecular Weight290.81 g/mol
Exact Mass290.05
IUPAC Name1-chloro-4-propoxy-9H-thioxanthene
SMILESCCCOc1ccc(Cl)c2c1Sc1ccccc1C2
InChIInChI=1S/C16H15ClOS/c1-2-9-18-14-8-7-13(17)12-10-11-5-3-4-6-15(11)19-16(12)14/h3-8H,2,9-10H2,1H3
InChIKeyYYFQQUPKQHVAMF-UHFFFAOYSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

copper;9H-thioxanthene
CID 174315063
1-[3-(dimethylamino)propoxy]-6H-benzo[b][1]benzothiepin-5-one;hydrochloride
CID 3079507
3-chloro-2-propoxy-9H-thioxanthene 10-oxide
CID 67095766
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
4-propoxy-10H-anthracen-9-one
CID 102119580
bis(oxygen(2-));9H-thioxanthene;titanium(4+)
CID 158702616
bis(2,4-diethyl-9H-thioxanthen-1-yl)methanone
CID 174555827
9H-thioxanthen-1-yl formate
CID 174830619
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
1-(2-piperidin-1-ylethoxy)-6H-benzo[b][1]benzothiepin-5-one
CID 1049240
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
20,21-diheptyl-5,16,25,36-tetramethyl-14,27-dithianonacyclo[20.16.0.02,19.04,17.06,15.08,13.024,37.026,35.028,33]octatriaconta-1,3,5,8,10,12,15,17,19,21,23,25,28,30,32,35,37-heptadecaene
CID 100916716

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-propoxy-9H-thioxanthene?
The IUPAC name of 1-chloro-4-propoxy-9H-thioxanthene (CID 67047516) is 1-chloro-4-propoxy-9H-thioxanthene.
What is the SMILES notation for 1-chloro-4-propoxy-9H-thioxanthene?
The canonical SMILES for 1-chloro-4-propoxy-9H-thioxanthene is CCCOc1ccc(Cl)c2c1Sc1ccccc1C2.
What is the InChIKey of 1-chloro-4-propoxy-9H-thioxanthene?
The InChIKey is YYFQQUPKQHVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClOS/c1-2-9-18-14-8-7-13(17)12-10-11-5-3-4-6-15(11)19-16(12)14/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-chloro-4-propoxy-9H-thioxanthene?
1-chloro-4-propoxy-9H-thioxanthene has a molecular weight of 290.81 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-propoxy-9H-thioxanthene is sourced from PubChem (CID 67047516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).