7-bromo-4-methylthieno[2,3-b]indole

C11H8BrNS — CID 23210578

IUPAC7-bromo-4-methylthieno[2,3-b]indole
SMILESCn1c2ccc(Br)cc2c2ccsc21
InChIInChI=1S/C11H8BrNS/c1-13-10-3-2-7(12)6-9(10)8-4-5-14-11(8)13/h2-6H,1H3
InChIKeyZILBMMVQMZBJHM-UHFFFAOYSA-N
MW266.16 g/mol
LogP4.16
Rot. Bonds

About 7-bromo-4-methylthieno[2,3-b]indole

7-bromo-4-methylthieno[2,3-b]indole (PubChem CID 23210578) has the molecular formula C11H8BrNS and a molecular weight of 266.16 g/mol. Its IUPAC name is 7-bromo-4-methylthieno[2,3-b]indole.

Molecular Properties

Compound Name7-bromo-4-methylthieno[2,3-b]indole
PubChem CID23210578
Molecular FormulaC11H8BrNS
Molecular Weight266.16 g/mol
Exact Mass264.96
IUPAC Name7-bromo-4-methylthieno[2,3-b]indole
SMILESCn1c2ccc(Br)cc2c2ccsc21
InChIInChI=1S/C11H8BrNS/c1-13-10-3-2-7(12)6-9(10)8-4-5-14-11(8)13/h2-6H,1H3
InChIKeyZILBMMVQMZBJHM-UHFFFAOYSA-N
XLogP4.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methylthieno[2,3-b]indole?
The IUPAC name of 7-bromo-4-methylthieno[2,3-b]indole (CID 23210578) is 7-bromo-4-methylthieno[2,3-b]indole.
What is the SMILES notation for 7-bromo-4-methylthieno[2,3-b]indole?
The canonical SMILES for 7-bromo-4-methylthieno[2,3-b]indole is Cn1c2ccc(Br)cc2c2ccsc21.
What is the InChIKey of 7-bromo-4-methylthieno[2,3-b]indole?
The InChIKey is ZILBMMVQMZBJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNS/c1-13-10-3-2-7(12)6-9(10)8-4-5-14-11(8)13/h2-6H,1H3.
What are the key properties of 7-bromo-4-methylthieno[2,3-b]indole?
7-bromo-4-methylthieno[2,3-b]indole has a molecular weight of 266.16 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methylthieno[2,3-b]indole is sourced from PubChem (CID 23210578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).