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

C10H11NOS — CID 14918460

IUPAC7-methoxy-1-methyl-3H-indole-2-thione
SMILESCOc1cccc2c1N(C)C(=S)C2
InChIInChI=1S/C10H11NOS/c1-11-9(13)6-7-4-3-5-8(12-2)10(7)11/h3-5H,6H2,1-2H3
InChIKeyLZUQPCCOZLXTBF-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.01
Rot. Bonds1

About 7-methoxy-1-methyl-3H-indole-2-thione

7-methoxy-1-methyl-3H-indole-2-thione (PubChem CID 14918460) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 7-methoxy-1-methyl-3H-indole-2-thione.

Molecular Properties

Compound Name7-methoxy-1-methyl-3H-indole-2-thione
PubChem CID14918460
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name7-methoxy-1-methyl-3H-indole-2-thione
SMILESCOc1cccc2c1N(C)C(=S)C2
InChIInChI=1S/C10H11NOS/c1-11-9(13)6-7-4-3-5-8(12-2)10(7)11/h3-5H,6H2,1-2H3
InChIKeyLZUQPCCOZLXTBF-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-methoxy-1-methyl-3H-indol-2-one
CID 12713031
(7-methoxy-1-methyl-2,3-dihydroindol-2-yl)methanamine
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CID 125426011
4,13,22-trimethoxyheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 10694042
4-methoxy-1,1-dimethyl-8,8a-dihydroazeto[1,2-a]indol-2-one
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-3H-indole-2-thione?
The IUPAC name of 7-methoxy-1-methyl-3H-indole-2-thione (CID 14918460) is 7-methoxy-1-methyl-3H-indole-2-thione.
What is the SMILES notation for 7-methoxy-1-methyl-3H-indole-2-thione?
The canonical SMILES for 7-methoxy-1-methyl-3H-indole-2-thione is COc1cccc2c1N(C)C(=S)C2.
What is the InChIKey of 7-methoxy-1-methyl-3H-indole-2-thione?
The InChIKey is LZUQPCCOZLXTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-11-9(13)6-7-4-3-5-8(12-2)10(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-3H-indole-2-thione?
7-methoxy-1-methyl-3H-indole-2-thione has a molecular weight of 193.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-3H-indole-2-thione is sourced from PubChem (CID 14918460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).