2,3-dimethyl-1-phenylindole-5-thiol

C16H15NS — CID 143543300

IUPAC2,3-dimethyl-1-phenylindole-5-thiol
SMILESCc1c(C)n(-c2ccccc2)c2ccc(S)cc12
InChIInChI=1S/C16H15NS/c1-11-12(2)17(13-6-4-3-5-7-13)16-9-8-14(18)10-15(11)16/h3-10,18H,1-2H3
InChIKeyVNJBPUSFBBEFMN-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.54
Rot. Bonds1

About 2,3-dimethyl-1-phenylindole-5-thiol

2,3-dimethyl-1-phenylindole-5-thiol (PubChem CID 143543300) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-phenylindole-5-thiol.

Molecular Properties

Compound Name2,3-dimethyl-1-phenylindole-5-thiol
PubChem CID143543300
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name2,3-dimethyl-1-phenylindole-5-thiol
SMILESCc1c(C)n(-c2ccccc2)c2ccc(S)cc12
InChIInChI=1S/C16H15NS/c1-11-12(2)17(13-6-4-3-5-7-13)16-9-8-14(18)10-15(11)16/h3-10,18H,1-2H3
InChIKeyVNJBPUSFBBEFMN-UHFFFAOYSA-N
XLogP4.54
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.54
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

6-methyl-9-phenylcarbazole-3-thiol
CID 143213291
N-[4-[2-(2,3-dimethyl-1-phenylindol-5-yl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 123754936
5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
CID 143516126
1-(3-bromophenyl)-2,3-dimethylindole
CID 146003926
N-[4-[5-[2,3-dimethyl-1-[4-(N-naphthalen-1-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59184226
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
CID 165126064
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
N-[4-[5-[2,3-dimethyl-1-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]indol-5-yl]-2,3-dimethylindol-1-yl]phenyl]-N-(4-methylphenyl)naphthalen-2-amine
CID 59184250
3-(10-methylanthracen-9-yl)-9-phenylcarbazole
CID 121339805
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-phenylindole-5-thiol?
The IUPAC name of 2,3-dimethyl-1-phenylindole-5-thiol (CID 143543300) is 2,3-dimethyl-1-phenylindole-5-thiol.
What is the SMILES notation for 2,3-dimethyl-1-phenylindole-5-thiol?
The canonical SMILES for 2,3-dimethyl-1-phenylindole-5-thiol is Cc1c(C)n(-c2ccccc2)c2ccc(S)cc12.
What is the InChIKey of 2,3-dimethyl-1-phenylindole-5-thiol?
The InChIKey is VNJBPUSFBBEFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-11-12(2)17(13-6-4-3-5-7-13)16-9-8-14(18)10-15(11)16/h3-10,18H,1-2H3.
What are the key properties of 2,3-dimethyl-1-phenylindole-5-thiol?
2,3-dimethyl-1-phenylindole-5-thiol has a molecular weight of 253.37 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-phenylindole-5-thiol is sourced from PubChem (CID 143543300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).