9-methyl-2H-thiopyrano[2,3-b]indole

C12H11NS — CID 175258385

IUPAC9-methyl-2H-thiopyrano[2,3-b]indole
SMILESCn1c2c(c3ccccc31)C=CCS2
InChIInChI=1S/C12H11NS/c1-13-11-7-3-2-5-9(11)10-6-4-8-14-12(10)13/h2-7H,8H2,1H3
InChIKeyMOWZHUMYCSNJBI-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.30
Rot. Bonds

About 9-methyl-2H-thiopyrano[2,3-b]indole

9-methyl-2H-thiopyrano[2,3-b]indole (PubChem CID 175258385) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 9-methyl-2H-thiopyrano[2,3-b]indole.

Molecular Properties

Compound Name9-methyl-2H-thiopyrano[2,3-b]indole
PubChem CID175258385
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name9-methyl-2H-thiopyrano[2,3-b]indole
SMILESCn1c2c(c3ccccc31)C=CCS2
InChIInChI=1S/C12H11NS/c1-13-11-7-3-2-5-9(11)10-6-4-8-14-12(10)13/h2-7H,8H2,1H3
InChIKeyMOWZHUMYCSNJBI-UHFFFAOYSA-N
XLogP3.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2H-thiopyrano[2,3-b]indole?
The IUPAC name of 9-methyl-2H-thiopyrano[2,3-b]indole (CID 175258385) is 9-methyl-2H-thiopyrano[2,3-b]indole.
What is the SMILES notation for 9-methyl-2H-thiopyrano[2,3-b]indole?
The canonical SMILES for 9-methyl-2H-thiopyrano[2,3-b]indole is Cn1c2c(c3ccccc31)C=CCS2.
What is the InChIKey of 9-methyl-2H-thiopyrano[2,3-b]indole?
The InChIKey is MOWZHUMYCSNJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-13-11-7-3-2-5-9(11)10-6-4-8-14-12(10)13/h2-7H,8H2,1H3.
What are the key properties of 9-methyl-2H-thiopyrano[2,3-b]indole?
9-methyl-2H-thiopyrano[2,3-b]indole has a molecular weight of 201.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2H-thiopyrano[2,3-b]indole is sourced from PubChem (CID 175258385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).