4-(9H-thioxanthen-2-yl)benzenethiol

C19H14S2 — CID 175983753

IUPAC4-(9H-thioxanthen-2-yl)benzenethiol
SMILESSc1ccc(-c2ccc3c(c2)Cc2ccccc2S3)cc1
InChIInChI=1S/C19H14S2/c20-17-8-5-13(6-9-17)14-7-10-19-16(11-14)12-15-3-1-2-4-18(15)21-19/h1-11,20H,12H2
InChIKeyJUBWOUUXZDOFCY-UHFFFAOYSA-N
MW306.46 g/mol
LogP5.70
Rot. Bonds1

About 4-(9H-thioxanthen-2-yl)benzenethiol

4-(9H-thioxanthen-2-yl)benzenethiol (PubChem CID 175983753) has the molecular formula C19H14S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 4-(9H-thioxanthen-2-yl)benzenethiol.

Molecular Properties

Compound Name4-(9H-thioxanthen-2-yl)benzenethiol
PubChem CID175983753
Molecular FormulaC19H14S2
Molecular Weight306.46 g/mol
Exact Mass306.05
IUPAC Name4-(9H-thioxanthen-2-yl)benzenethiol
SMILESSc1ccc(-c2ccc3c(c2)Cc2ccccc2S3)cc1
InChIInChI=1S/C19H14S2/c20-17-8-5-13(6-9-17)14-7-10-19-16(11-14)12-15-3-1-2-4-18(15)21-19/h1-11,20H,12H2
InChIKeyJUBWOUUXZDOFCY-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

copper;9H-thioxanthene
CID 174315063
bis(oxygen(2-));9H-thioxanthene;titanium(4+)
CID 158702616
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CID 150245404
N-methyl-9H-thioxanthen-2-amine
CID 175177494
dioxotitanium;9H-thioxanthene
CID 174580063
sulfamide;9H-thioxanthene
CID 174799944
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)-9H-thioxanthene
CID 89139320
2-(9H-thioxanthen-2-yloxy)acetic acid
CID 174842344
1H-azepine;9H-thioxanthene
CID 174889016
1,2,3-tris(4-methylphenyl)-9H-thioxanthene
CID 159767836
2-[1-(4-ethylphenyl)ethyl]-9H-thioxanthene;pentakis(2-[1-(4-methylphenyl)ethyl]-9H-thioxanthene)
CID 162113114
5,24-diphenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaene
CID 118860906

Frequently Asked Questions

What is the IUPAC name of 4-(9H-thioxanthen-2-yl)benzenethiol?
The IUPAC name of 4-(9H-thioxanthen-2-yl)benzenethiol (CID 175983753) is 4-(9H-thioxanthen-2-yl)benzenethiol.
What is the SMILES notation for 4-(9H-thioxanthen-2-yl)benzenethiol?
The canonical SMILES for 4-(9H-thioxanthen-2-yl)benzenethiol is Sc1ccc(-c2ccc3c(c2)Cc2ccccc2S3)cc1.
What is the InChIKey of 4-(9H-thioxanthen-2-yl)benzenethiol?
The InChIKey is JUBWOUUXZDOFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S2/c20-17-8-5-13(6-9-17)14-7-10-19-16(11-14)12-15-3-1-2-4-18(15)21-19/h1-11,20H,12H2.
What are the key properties of 4-(9H-thioxanthen-2-yl)benzenethiol?
4-(9H-thioxanthen-2-yl)benzenethiol has a molecular weight of 306.46 g/mol, XLogP of 5.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-thioxanthen-2-yl)benzenethiol is sourced from PubChem (CID 175983753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).