3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide

C7H7BrO2S2 — CID 83488848

IUPAC3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide
SMILESO=S1(=O)CCc2csc(Br)c2C1
InChIInChI=1S/C7H7BrO2S2/c8-7-6-4-12(9,10)2-1-5(6)3-11-7/h3H,1-2,4H2
InChIKeyVSIQCDTWUZJCIU-UHFFFAOYSA-N
MW267.17 g/mol
LogP1.98
Rot. Bonds

About 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide

3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide (PubChem CID 83488848) has the molecular formula C7H7BrO2S2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide.

Molecular Properties

Compound Name3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide
PubChem CID83488848
Molecular FormulaC7H7BrO2S2
Molecular Weight267.17 g/mol
Exact Mass265.91
IUPAC Name3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide
SMILESO=S1(=O)CCc2csc(Br)c2C1
InChIInChI=1S/C7H7BrO2S2/c8-7-6-4-12(9,10)2-1-5(6)3-11-7/h3H,1-2,4H2
InChIKeyVSIQCDTWUZJCIU-UHFFFAOYSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide?
The IUPAC name of 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide (CID 83488848) is 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide.
What is the SMILES notation for 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide?
The canonical SMILES for 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide is O=S1(=O)CCc2csc(Br)c2C1.
What is the InChIKey of 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide?
The InChIKey is VSIQCDTWUZJCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S2/c8-7-6-4-12(9,10)2-1-5(6)3-11-7/h3H,1-2,4H2.
What are the key properties of 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide?
3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide has a molecular weight of 267.17 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,7-dihydro-4H-thieno[3,4-c]thiopyran 5,5-dioxide is sourced from PubChem (CID 83488848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).