3-carbazol-9-ylbenzenethiol

C18H13NS — CID 138734819

IUPAC3-carbazol-9-ylbenzenethiol
SMILESSc1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C18H13NS/c20-14-7-5-6-13(12-14)19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12,20H
InChIKeyMPZFDXHHGQOVAG-UHFFFAOYSA-N
MW275.38 g/mol
LogP5.07
Rot. Bonds1

About 3-carbazol-9-ylbenzenethiol

3-carbazol-9-ylbenzenethiol (PubChem CID 138734819) has the molecular formula C18H13NS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-carbazol-9-ylbenzenethiol.

Molecular Properties

Compound Name3-carbazol-9-ylbenzenethiol
PubChem CID138734819
Molecular FormulaC18H13NS
Molecular Weight275.38 g/mol
Exact Mass275.08
IUPAC Name3-carbazol-9-ylbenzenethiol
SMILESSc1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C18H13NS/c20-14-7-5-6-13(12-14)19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12,20H
InChIKeyMPZFDXHHGQOVAG-UHFFFAOYSA-N
XLogP5.07
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.38
LogP ≤ 55.07
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

9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen
CID 143348684
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
ethane;9-(3-methylphenyl)carbazole
CID 143904684
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-ylbenzenethiol?
The IUPAC name of 3-carbazol-9-ylbenzenethiol (CID 138734819) is 3-carbazol-9-ylbenzenethiol.
What is the SMILES notation for 3-carbazol-9-ylbenzenethiol?
The canonical SMILES for 3-carbazol-9-ylbenzenethiol is Sc1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-carbazol-9-ylbenzenethiol?
The InChIKey is MPZFDXHHGQOVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NS/c20-14-7-5-6-13(12-14)19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)19/h1-12,20H.
What are the key properties of 3-carbazol-9-ylbenzenethiol?
3-carbazol-9-ylbenzenethiol has a molecular weight of 275.38 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-ylbenzenethiol is sourced from PubChem (CID 138734819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).