1-iodo-4-methyl-9H-thioxanthene

C14H11IS — CID 145125552

IUPAC1-iodo-4-methyl-9H-thioxanthene
SMILESCc1ccc(I)c2c1Sc1ccccc1C2
InChIInChI=1S/C14H11IS/c1-9-6-7-12(15)11-8-10-4-2-3-5-13(10)16-14(9)11/h2-7H,8H2,1H3
InChIKeyPSAJGSPNQFSRBY-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.66
Rot. Bonds

About 1-iodo-4-methyl-9H-thioxanthene

1-iodo-4-methyl-9H-thioxanthene (PubChem CID 145125552) has the molecular formula C14H11IS and a molecular weight of 338.21 g/mol. Its IUPAC name is 1-iodo-4-methyl-9H-thioxanthene.

Molecular Properties

Compound Name1-iodo-4-methyl-9H-thioxanthene
PubChem CID145125552
Molecular FormulaC14H11IS
Molecular Weight338.21 g/mol
Exact Mass337.96
IUPAC Name1-iodo-4-methyl-9H-thioxanthene
SMILESCc1ccc(I)c2c1Sc1ccccc1C2
InChIInChI=1S/C14H11IS/c1-9-6-7-12(15)11-8-10-4-2-3-5-13(10)16-14(9)11/h2-7H,8H2,1H3
InChIKeyPSAJGSPNQFSRBY-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

copper;9H-thioxanthene
CID 174315063
bis(oxygen(2-));9H-thioxanthene;titanium(4+)
CID 158702616
4-(4-methylphenyl)-9H-thioxanthene
CID 170229456
1-propan-2-yl-9H-thioxanthene
CID 23368911
1-[[2,4-di(propan-2-yl)-9H-thioxanthen-1-yl]oxy]-2,4-di(propan-2-yl)-9H-thioxanthene
CID 174477770
bis(2,4-diethyl-9H-thioxanthen-1-yl)methanone
CID 174555827
8-(4-methylphenyl)-14H-thiochromeno[2,3-c]phenothiazine
CID 160547403
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
dioxotitanium;9H-thioxanthene
CID 174580063
1-chloro-4-propoxy-9H-thioxanthene
CID 67047516
bis(9H-thioxanthen-1-yl)methanone
CID 67045780
1,2,3-tris(4-methylphenyl)-9H-thioxanthene
CID 159767836

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methyl-9H-thioxanthene?
The IUPAC name of 1-iodo-4-methyl-9H-thioxanthene (CID 145125552) is 1-iodo-4-methyl-9H-thioxanthene.
What is the SMILES notation for 1-iodo-4-methyl-9H-thioxanthene?
The canonical SMILES for 1-iodo-4-methyl-9H-thioxanthene is Cc1ccc(I)c2c1Sc1ccccc1C2.
What is the InChIKey of 1-iodo-4-methyl-9H-thioxanthene?
The InChIKey is PSAJGSPNQFSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IS/c1-9-6-7-12(15)11-8-10-4-2-3-5-13(10)16-14(9)11/h2-7H,8H2,1H3.
What are the key properties of 1-iodo-4-methyl-9H-thioxanthene?
1-iodo-4-methyl-9H-thioxanthene has a molecular weight of 338.21 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methyl-9H-thioxanthene is sourced from PubChem (CID 145125552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).