5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide

C9H8BrClO2S — CID 170623542

IUPAC5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C9H8BrClO2S/c10-7-3-4-8(11)9-6(7)2-1-5-14(9,12)13/h3-4H,1-2,5H2
InChIKeyURUFQYFIOJRSEV-UHFFFAOYSA-N
MW295.58 g/mol
LogP2.82
Rot. Bonds

About 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide

5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 170623542) has the molecular formula C9H8BrClO2S and a molecular weight of 295.58 g/mol. Its IUPAC name is 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID170623542
Molecular FormulaC9H8BrClO2S
Molecular Weight295.58 g/mol
Exact Mass293.91
IUPAC Name5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESO=S1(=O)CCCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C9H8BrClO2S/c10-7-3-4-8(11)9-6(7)2-1-5-14(9,12)13/h3-4H,1-2,5H2
InChIKeyURUFQYFIOJRSEV-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.58
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Bromo-4-chloro-2-methyl-5-methylsulfonylbenzene
CID 10221442
4-Bromo-1-chloro-2-(3-chloro-phenylmethanesulfonyl)-benzene
CID 57481697
1-Bromo-4-chloro-2-ethynyl-3-methylsulfonylbenzene
CID 166524500
5-bromo-8-chloro-3,4-dihydro-2H-thiochromene
CID 170623390
4-Bromo-7-chloro-1-benzothiophene 1,1-dioxide
CID 172075879
4-Bromo-7-chloro-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 172076058
3-Bromo-6-chloro-2-methylbenzenesulfonyl chloride
CID 171001922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 170623542) is 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide is O=S1(=O)CCCc2c(Br)ccc(Cl)c21.
What is the InChIKey of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is URUFQYFIOJRSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2S/c10-7-3-4-8(11)9-6(7)2-1-5-14(9,12)13/h3-4H,1-2,5H2.
What are the key properties of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide?
5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 295.58 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 170623542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).