4-(1H-indol-2-yl)benzenethiol;methanol

C15H15NOS — CID 160504693

IUPAC4-(1H-indol-2-yl)benzenethiol;methanol
SMILESCO.Sc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11NS.CH4O/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15-14;1-2/h1-9,15-16H;2H,1H3
InChIKeyQSFYXYFBBTZGAF-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.73
Rot. Bonds1

About 4-(1H-indol-2-yl)benzenethiol;methanol

4-(1H-indol-2-yl)benzenethiol;methanol (PubChem CID 160504693) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)benzenethiol;methanol.

Molecular Properties

Compound Name4-(1H-indol-2-yl)benzenethiol;methanol
PubChem CID160504693
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name4-(1H-indol-2-yl)benzenethiol;methanol
SMILESCO.Sc1ccc(-c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11NS.CH4O/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15-14;1-2/h1-9,15-16H;2H,1H3
InChIKeyQSFYXYFBBTZGAF-UHFFFAOYSA-N
XLogP3.73
TPSA36.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-indol-2-yl)phenol
CID 11287260
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
ethane;2-[4-(trifluoromethyl)phenyl]-1H-indole
CID 143223648
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
2-(4-pyridin-3-ylphenyl)-1H-indole
CID 91518635
2-[4-(4-phenylpiperazin-1-yl)phenyl]-1H-indole
CID 163366166
2-(2,6-ditert-butyl-4-pyridinyl)-1H-indole
CID 151304935
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
3-(1H-indol-2-yl)-5-(4-methylphenyl)benzoic acid
CID 68762875
2-(3-bromo-4-methoxyphenyl)-1H-indole
CID 82050099
4H-cyclopenta[b]quinolin-1-ol
CID 154308878
3-(1H-indol-2-yl)acridine
CID 151493055

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)benzenethiol;methanol?
The IUPAC name of 4-(1H-indol-2-yl)benzenethiol;methanol (CID 160504693) is 4-(1H-indol-2-yl)benzenethiol;methanol.
What is the SMILES notation for 4-(1H-indol-2-yl)benzenethiol;methanol?
The canonical SMILES for 4-(1H-indol-2-yl)benzenethiol;methanol is CO.Sc1ccc(-c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-indol-2-yl)benzenethiol;methanol?
The InChIKey is QSFYXYFBBTZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS.CH4O/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15-14;1-2/h1-9,15-16H;2H,1H3.
What are the key properties of 4-(1H-indol-2-yl)benzenethiol;methanol?
4-(1H-indol-2-yl)benzenethiol;methanol has a molecular weight of 257.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)benzenethiol;methanol is sourced from PubChem (CID 160504693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).