6-bromo-3,4-dihydro-2H-thiochromene

C9H9BrS — CID 19702076

IUPAC6-bromo-3,4-dihydro-2H-thiochromene
SMILESBrc1ccc2c(c1)CCCS2
InChIInChI=1S/C9H9BrS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKeyIVHBQBNIGBXJKX-UHFFFAOYSA-N
MW229.14 g/mol
LogP3.49
Rot. Bonds

About 6-bromo-3,4-dihydro-2H-thiochromene

6-bromo-3,4-dihydro-2H-thiochromene (PubChem CID 19702076) has the molecular formula C9H9BrS and a molecular weight of 229.14 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-2H-thiochromene
PubChem CID19702076
Molecular FormulaC9H9BrS
Molecular Weight229.14 g/mol
Exact Mass227.96
IUPAC Name6-bromo-3,4-dihydro-2H-thiochromene
SMILESBrc1ccc2c(c1)CCCS2
InChIInChI=1S/C9H9BrS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKeyIVHBQBNIGBXJKX-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-2H-thiochromene?
The IUPAC name of 6-bromo-3,4-dihydro-2H-thiochromene (CID 19702076) is 6-bromo-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 6-bromo-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 6-bromo-3,4-dihydro-2H-thiochromene is Brc1ccc2c(c1)CCCS2.
What is the InChIKey of 6-bromo-3,4-dihydro-2H-thiochromene?
The InChIKey is IVHBQBNIGBXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2.
What are the key properties of 6-bromo-3,4-dihydro-2H-thiochromene?
6-bromo-3,4-dihydro-2H-thiochromene has a molecular weight of 229.14 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 19702076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).