6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine

C15H10Cl2O2S2 — CID 80738912

IUPAC6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESClc1cc2c(cc1C(Cl)c1cc3sccc3s1)OCCO2
InChIInChI=1S/C15H10Cl2O2S2/c16-9-6-11-10(18-2-3-19-11)5-8(9)15(17)14-7-13-12(21-14)1-4-20-13/h1,4-7,15H,2-3H2
InChIKeyJRTOAVMBCFJAFF-UHFFFAOYSA-N
MW357.28 g/mol
LogP5.72
Rot. Bonds2

About 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine

6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 80738912) has the molecular formula C15H10Cl2O2S2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID80738912
Molecular FormulaC15H10Cl2O2S2
Molecular Weight357.28 g/mol
Exact Mass355.95
IUPAC Name6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESClc1cc2c(cc1C(Cl)c1cc3sccc3s1)OCCO2
InChIInChI=1S/C15H10Cl2O2S2/c16-9-6-11-10(18-2-3-19-11)5-8(9)15(17)14-7-13-12(21-14)1-4-20-13/h1,4-7,15H,2-3H2
InChIKeyJRTOAVMBCFJAFF-UHFFFAOYSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.28
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thieno[3,2-b]thiophene
CID 80738911
5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543726
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
6-chloro-7-[chloro-(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63432735
8-[(5-bromo-4-methylthiophen-2-yl)-chloromethyl]-7-chloro-3,4-dihydro-2H-1,5-benzodioxepine
CID 79999400
5-[chloro-(4-methylphenyl)methyl]thieno[3,2-b]thiophene
CID 80744734
7-[(5-bromothiophen-3-yl)-chloromethyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 114021610
7-[bromo(thieno[3,2-b]thiophen-5-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 80739008
6-chloro-7-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 103404596
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chlorothiophen-2-yl)methanol
CID 62276704
6-chloro-7-[chloro-(5-chloro-2-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 82874967
5-[bromo-(2-chloro-4,5-difluorophenyl)methyl]thieno[3,2-b]thiophene
CID 107477680

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine (CID 80738912) is 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine is Clc1cc2c(cc1C(Cl)c1cc3sccc3s1)OCCO2.
What is the InChIKey of 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is JRTOAVMBCFJAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2S2/c16-9-6-11-10(18-2-3-19-11)5-8(9)15(17)14-7-13-12(21-14)1-4-20-13/h1,4-7,15H,2-3H2.
What are the key properties of 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine?
6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 357.28 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 80738912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).