2,4-dichloro-2H-benzo[g]thiochromene 1-oxide

C13H8Cl2OS — CID 141060514

IUPAC2,4-dichloro-2H-benzo[g]thiochromene 1-oxide
SMILESO=S1c2cc3ccccc3cc2C(Cl)=CC1Cl
InChIInChI=1S/C13H8Cl2OS/c14-11-7-13(15)17(16)12-6-9-4-2-1-3-8(9)5-10(11)12/h1-7,13H
InChIKeyNJZJOKAQCFAENT-UHFFFAOYSA-N
MW283.18 g/mol
LogP4.11
Rot. Bonds

About 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide

2,4-dichloro-2H-benzo[g]thiochromene 1-oxide (PubChem CID 141060514) has the molecular formula C13H8Cl2OS and a molecular weight of 283.18 g/mol. Its IUPAC name is 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide.

Molecular Properties

Compound Name2,4-dichloro-2H-benzo[g]thiochromene 1-oxide
PubChem CID141060514
Molecular FormulaC13H8Cl2OS
Molecular Weight283.18 g/mol
Exact Mass281.97
IUPAC Name2,4-dichloro-2H-benzo[g]thiochromene 1-oxide
SMILESO=S1c2cc3ccccc3cc2C(Cl)=CC1Cl
InChIInChI=1S/C13H8Cl2OS/c14-11-7-13(15)17(16)12-6-9-4-2-1-3-8(9)5-10(11)12/h1-7,13H
InChIKeyNJZJOKAQCFAENT-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;pentacene-6,13-dione
CID 91293848
heptacene-7,16-dione
CID 44720481
3-methyl-1-oxo-2H-benzo[g]thiochromen-2-ol
CID 141069567
2,3-di(propan-2-yl)-2H-benzo[g]thiochromene 1-oxide
CID 141094875
ethane;pentacene
CID 91470616
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
2-phenyl-2H-benzo[g]thiochromene 1-oxide
CID 178076131
2-bromonaphthalene;sulfuryl dichloride
CID 174434762
1,2,3,4-tetramethylpentacene-6,13-dione
CID 141286138
naphtho[2,3-f][2]benzofuran-1,3-dione
CID 11096934
3-hydroxytetracene-1,2,4-trione
CID 54358442

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide?
The IUPAC name of 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide (CID 141060514) is 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide.
What is the SMILES notation for 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide?
The canonical SMILES for 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide is O=S1c2cc3ccccc3cc2C(Cl)=CC1Cl.
What is the InChIKey of 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide?
The InChIKey is NJZJOKAQCFAENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2OS/c14-11-7-13(15)17(16)12-6-9-4-2-1-3-8(9)5-10(11)12/h1-7,13H.
What are the key properties of 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide?
2,4-dichloro-2H-benzo[g]thiochromene 1-oxide has a molecular weight of 283.18 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-2H-benzo[g]thiochromene 1-oxide is sourced from PubChem (CID 141060514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).