1-methyl-3H-indole-2-thione

C9H9NS — CID 26156

IUPAC1-methyl-3H-indole-2-thione
SMILESCN1C(=S)Cc2ccccc21
InChIInChI=1S/C9H9NS/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
InChIKeyGBSPZRWQIJCQQB-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.01
Rot. Bonds

About 1-methyl-3H-indole-2-thione

1-methyl-3H-indole-2-thione (PubChem CID 26156) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-methyl-3H-indole-2-thione.

Molecular Properties

Compound Name1-methyl-3H-indole-2-thione
PubChem CID26156
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name1-methyl-3H-indole-2-thione
SMILESCN1C(=S)Cc2ccccc21
InChIInChI=1S/C9H9NS/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3
InChIKeyGBSPZRWQIJCQQB-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)methanamine
CID 57356776
4,10-dimethyl-9H-acridine
CID 159483382
10-methyl-9H-acridin-1-ol
CID 67275836
7-methoxy-1-methyl-3H-indole-2-thione
CID 14918460
1-methyl-2-phenyl-4H-quinoline
CID 20646525
N-(11-methyl-6H-benzo[b][1]benzazepin-5-ylidene)hydroxylamine
CID 154103165
4-methoxy-10-methyl-9H-acridine
CID 15358177
(1-methyl-2-sulfanylidene-3H-indol-5-yl) acetate
CID 10082232
10-propyl-9H-acridine
CID 71122947
5-methyl-8,13-dihydroindeno[1,2-a]acridine
CID 158084314
2,10-dimethyl-4,5-dihydro-3H-benzo[b][1,7]naphthyridin-1-one
CID 20760294

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3H-indole-2-thione?
The IUPAC name of 1-methyl-3H-indole-2-thione (CID 26156) is 1-methyl-3H-indole-2-thione.
What is the SMILES notation for 1-methyl-3H-indole-2-thione?
The canonical SMILES for 1-methyl-3H-indole-2-thione is CN1C(=S)Cc2ccccc21.
What is the InChIKey of 1-methyl-3H-indole-2-thione?
The InChIKey is GBSPZRWQIJCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-3H-indole-2-thione?
1-methyl-3H-indole-2-thione has a molecular weight of 163.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3H-indole-2-thione is sourced from PubChem (CID 26156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).