(1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene

C10H10BrClS — CID 170623836

IUPAC(1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene
SMILESC/C=S1\CCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C10H10BrClS/c1-2-13-6-5-7-8(11)3-4-9(12)10(7)13/h2-4H,5-6H2,1H3
InChIKeyACHZOLWEYIINEA-UHFFFAOYSA-N
MW277.61 g/mol
LogP4.11
Rot. Bonds

About (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene

(1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene (PubChem CID 170623836) has the molecular formula C10H10BrClS and a molecular weight of 277.61 g/mol. Its IUPAC name is (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name(1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene
PubChem CID170623836
Molecular FormulaC10H10BrClS
Molecular Weight277.61 g/mol
Exact Mass275.94
IUPAC Name(1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene
SMILESC/C=S1\CCc2c(Br)ccc(Cl)c21
InChIInChI=1S/C10H10BrClS/c1-2-13-6-5-7-8(11)3-4-9(12)10(7)13/h2-4H,5-6H2,1H3
InChIKeyACHZOLWEYIINEA-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.61
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-7-chloro-6-fluoro-1-benzothiophene
CID 130792213
3-Bromo-7-chloro-1-benzothiophene
CID 83668096
4-Bromo-7-chlorobenzo[b]thiophene
CID 130063059
4-Bromo-7-chloro-2-methyl-1-benzothiophene
CID 130766835
1-Bromo-4-chloro-2-ethynyl-3-methylsulfanylbenzene
CID 156845603
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
4-Bromo-7-chloro-3-methyl-1-benzothiophene
CID 91881909
4-Bromo-3-(bromomethyl)-7-chloro-1-benzothiophene
CID 91881958
4-Bromo-2-(bromomethyl)-7-chloro-1-benzothiophene
CID 130785879
4-Bromo-7-chloro-1-benzothiophene-3-thiol
CID 130785916

Frequently Asked Questions

What is the IUPAC name of (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene?
The IUPAC name of (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene (CID 170623836) is (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene?
The canonical SMILES for (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene is C/C=S1\CCc2c(Br)ccc(Cl)c21.
What is the InChIKey of (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene?
The InChIKey is ACHZOLWEYIINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClS/c1-2-13-6-5-7-8(11)3-4-9(12)10(7)13/h2-4H,5-6H2,1H3.
What are the key properties of (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene?
(1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene has a molecular weight of 277.61 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-bromo-7-chloro-1-ethylidene-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 170623836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).