1-methyl-2,3-dihydroindole-3-thiol

C9H11NS — CID 123600877

IUPAC1-methyl-2,3-dihydroindole-3-thiol
SMILESCN1CC(S)c2ccccc21
InChIInChI=1S/C9H11NS/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6H2,1H3
InChIKeyHVWQWMFKMBNHOL-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.11
Rot. Bonds

About 1-methyl-2,3-dihydroindole-3-thiol

1-methyl-2,3-dihydroindole-3-thiol (PubChem CID 123600877) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroindole-3-thiol.

Molecular Properties

Compound Name1-methyl-2,3-dihydroindole-3-thiol
PubChem CID123600877
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name1-methyl-2,3-dihydroindole-3-thiol
SMILESCN1CC(S)c2ccccc21
InChIInChI=1S/C9H11NS/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6H2,1H3
InChIKeyHVWQWMFKMBNHOL-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.11
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

(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741
1,3-dimethyl-3,4-dihydro-2H-quinolin-4-amine
CID 82276304
1,3-dimethyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 174566628
(3R,4S)-4-methoxy-1-methyl-3-propyl-3,4-dihydro-2H-quinoline
CID 10632686
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
N-methyl-3-(1-methyl-2,3-dihydroindol-3-yl)propan-1-amine
CID 115106432
1,2-dimethyl-3H-indazole-3-thiol
CID 135011124
1-methyl-3-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 58386589
ethane;1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 142426417

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydroindole-3-thiol?
The IUPAC name of 1-methyl-2,3-dihydroindole-3-thiol (CID 123600877) is 1-methyl-2,3-dihydroindole-3-thiol.
What is the SMILES notation for 1-methyl-2,3-dihydroindole-3-thiol?
The canonical SMILES for 1-methyl-2,3-dihydroindole-3-thiol is CN1CC(S)c2ccccc21.
What is the InChIKey of 1-methyl-2,3-dihydroindole-3-thiol?
The InChIKey is HVWQWMFKMBNHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-10-6-9(11)7-4-2-3-5-8(7)10/h2-5,9,11H,6H2,1H3.
What are the key properties of 1-methyl-2,3-dihydroindole-3-thiol?
1-methyl-2,3-dihydroindole-3-thiol has a molecular weight of 165.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroindole-3-thiol is sourced from PubChem (CID 123600877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).