6-methyl-9-phenylcarbazole-3-thiol

C19H15NS — CID 143213291

IUPAC6-methyl-9-phenylcarbazole-3-thiol
SMILESCc1ccc2c(c1)c1cc(S)ccc1n2-c1ccccc1
InChIInChI=1S/C19H15NS/c1-13-7-9-18-16(11-13)17-12-15(21)8-10-19(17)20(18)14-5-3-2-4-6-14/h2-12,21H,1H3
InChIKeyXTUPKYRNHOIBBK-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.38
Rot. Bonds1

About 6-methyl-9-phenylcarbazole-3-thiol

6-methyl-9-phenylcarbazole-3-thiol (PubChem CID 143213291) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-methyl-9-phenylcarbazole-3-thiol.

Molecular Properties

Compound Name6-methyl-9-phenylcarbazole-3-thiol
PubChem CID143213291
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name6-methyl-9-phenylcarbazole-3-thiol
SMILESCc1ccc2c(c1)c1cc(S)ccc1n2-c1ccccc1
InChIInChI=1S/C19H15NS/c1-13-7-9-18-16(11-13)17-12-15(21)8-10-19(17)20(18)14-5-3-2-4-6-14/h2-12,21H,1H3
InChIKeyXTUPKYRNHOIBBK-UHFFFAOYSA-N
XLogP5.38
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.38
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

2,3-dimethyl-1-phenylindole-5-thiol
CID 143543300
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
2-isocyano-6-methyl-9-phenylcarbazole
CID 140824455
6-methyl-N,9-diphenylcarbazol-3-amine
CID 58807692
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
2-methyl-9-phenylcarbazole
CID 59552741
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-phenylcarbazole-3-thiol?
The IUPAC name of 6-methyl-9-phenylcarbazole-3-thiol (CID 143213291) is 6-methyl-9-phenylcarbazole-3-thiol.
What is the SMILES notation for 6-methyl-9-phenylcarbazole-3-thiol?
The canonical SMILES for 6-methyl-9-phenylcarbazole-3-thiol is Cc1ccc2c(c1)c1cc(S)ccc1n2-c1ccccc1.
What is the InChIKey of 6-methyl-9-phenylcarbazole-3-thiol?
The InChIKey is XTUPKYRNHOIBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-13-7-9-18-16(11-13)17-12-15(21)8-10-19(17)20(18)14-5-3-2-4-6-14/h2-12,21H,1H3.
What are the key properties of 6-methyl-9-phenylcarbazole-3-thiol?
6-methyl-9-phenylcarbazole-3-thiol has a molecular weight of 289.40 g/mol, XLogP of 5.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-phenylcarbazole-3-thiol is sourced from PubChem (CID 143213291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).