thiopyrano[2,3-g]indole

C11H7NS — CID 86746699

IUPACthiopyrano[2,3-g]indole
SMILESc1csc2ccc3ccnc3c2c1
InChIInChI=1S/C11H7NS/c1-2-9-10(13-7-1)4-3-8-5-6-12-11(8)9/h1-7H
InChIKeyROUYSXBEYWORTN-UHFFFAOYSA-N
MW185.25 g/mol
LogP3.45
Rot. Bonds

About thiopyrano[2,3-g]indole

thiopyrano[2,3-g]indole (PubChem CID 86746699) has the molecular formula C11H7NS and a molecular weight of 185.25 g/mol. Its IUPAC name is thiopyrano[2,3-g]indole.

Molecular Properties

Compound Namethiopyrano[2,3-g]indole
PubChem CID86746699
Molecular FormulaC11H7NS
Molecular Weight185.25 g/mol
Exact Mass185.03
IUPAC Namethiopyrano[2,3-g]indole
SMILESc1csc2ccc3ccnc3c2c1
InChIInChI=1S/C11H7NS/c1-2-9-10(13-7-1)4-3-8-5-6-12-11(8)9/h1-7H
InChIKeyROUYSXBEYWORTN-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thiopyrano[2,3-g]indole?
The IUPAC name of thiopyrano[2,3-g]indole (CID 86746699) is thiopyrano[2,3-g]indole.
What is the SMILES notation for thiopyrano[2,3-g]indole?
The canonical SMILES for thiopyrano[2,3-g]indole is c1csc2ccc3ccnc3c2c1.
What is the InChIKey of thiopyrano[2,3-g]indole?
The InChIKey is ROUYSXBEYWORTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NS/c1-2-9-10(13-7-1)4-3-8-5-6-12-11(8)9/h1-7H.
What are the key properties of thiopyrano[2,3-g]indole?
thiopyrano[2,3-g]indole has a molecular weight of 185.25 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiopyrano[2,3-g]indole is sourced from PubChem (CID 86746699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).