5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene

C18H14O3S3 — CID 170556365

IUPAC5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
SMILESCOc1ccc2sc(S(=O)c3cc4cc(OC)ccc4s3)cc2c1
InChIInChI=1S/C18H14O3S3/c1-20-13-3-5-15-11(7-13)9-17(22-15)24(19)18-10-12-8-14(21-2)4-6-16(12)23-18/h3-10H,1-2H3
InChIKeyKPXBUANFTVDRDY-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.30
Rot. Bonds4

About 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene

5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene (PubChem CID 170556365) has the molecular formula C18H14O3S3 and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene.

Molecular Properties

Compound Name5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
PubChem CID170556365
Molecular FormulaC18H14O3S3
Molecular Weight374.51 g/mol
Exact Mass374.01
IUPAC Name5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
SMILESCOc1ccc2sc(S(=O)c3cc4cc(OC)ccc4s3)cc2c1
InChIInChI=1S/C18H14O3S3/c1-20-13-3-5-15-11(7-13)9-17(22-15)24(19)18-10-12-8-14(21-2)4-6-16(12)23-18/h3-10H,1-2H3
InChIKeyKPXBUANFTVDRDY-UHFFFAOYSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-1-benzothiophene
CID 69101358
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115109988
3-(5-methoxy-1-benzothiophen-2-yl)butanoic acid
CID 115004521
1-(5-methoxy-1-benzothiophen-2-yl)piperazine
CID 82623074
3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one
CID 82666423
5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine
CID 57428877
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
3-[(5-methoxy-1-benzothiophen-2-yl)methylamino]butanoic acid
CID 166263775
N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide
CID 166642413
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene?
The IUPAC name of 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene (CID 170556365) is 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene.
What is the SMILES notation for 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene?
The canonical SMILES for 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene is COc1ccc2sc(S(=O)c3cc4cc(OC)ccc4s3)cc2c1.
What is the InChIKey of 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene?
The InChIKey is KPXBUANFTVDRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3S3/c1-20-13-3-5-15-11(7-13)9-17(22-15)24(19)18-10-12-8-14(21-2)4-6-16(12)23-18/h3-10H,1-2H3.
What are the key properties of 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene?
5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene has a molecular weight of 374.51 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene is sourced from PubChem (CID 170556365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).