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

C9H8BrClS — CID 170623390

IUPAC5-bromo-8-chloro-3,4-dihydro-2H-thiochromene
SMILESClc1ccc(Br)c2c1SCCC2
InChIInChI=1S/C9H8BrClS/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h3-4H,1-2,5H2
InChIKeyIMPASLBZWKNYGJ-UHFFFAOYSA-N
MW263.59 g/mol
LogP4.14
Rot. Bonds

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

5-bromo-8-chloro-3,4-dihydro-2H-thiochromene (PubChem CID 170623390) has the molecular formula C9H8BrClS and a molecular weight of 263.59 g/mol. Its IUPAC name is 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name5-bromo-8-chloro-3,4-dihydro-2H-thiochromene
PubChem CID170623390
Molecular FormulaC9H8BrClS
Molecular Weight263.59 g/mol
Exact Mass261.92
IUPAC Name5-bromo-8-chloro-3,4-dihydro-2H-thiochromene
SMILESClc1ccc(Br)c2c1SCCC2
InChIInChI=1S/C9H8BrClS/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h3-4H,1-2,5H2
InChIKeyIMPASLBZWKNYGJ-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Benzylsulfanyl-4-bromo-1-chlorobenzene
CID 125465624
1-Bromo-4-chloro-2-ethynyl-3-methylsulfanylbenzene
CID 156845603
1-(2-Bromophenyl)-3-chloro-2-methylsulfanylbenzene
CID 166055471
5-bromo-8-chloro-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 170623542
(1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene
CID 170623836
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
4-Bromo-8-chlorothiochroman
CID 130137615

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene?
The IUPAC name of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene (CID 170623390) is 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene is Clc1ccc(Br)c2c1SCCC2.
What is the InChIKey of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene?
The InChIKey is IMPASLBZWKNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClS/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h3-4H,1-2,5H2.
What are the key properties of 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene?
5-bromo-8-chloro-3,4-dihydro-2H-thiochromene has a molecular weight of 263.59 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 170623390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).