4-methoxy-5-sulfanyl-1-benzothiophen-2-ol

C9H8O2S2 — CID 130821366

IUPAC4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
SMILESCOc1c(S)ccc2sc(O)cc12
InChIInChI=1S/C9H8O2S2/c1-11-9-5-4-8(10)13-7(5)3-2-6(9)12/h2-4,10,12H,1H3
InChIKeyOBFXYQVZYAPPMT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.90
Rot. Bonds1

About 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol

4-methoxy-5-sulfanyl-1-benzothiophen-2-ol (PubChem CID 130821366) has the molecular formula C9H8O2S2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
PubChem CID130821366
Molecular FormulaC9H8O2S2
Molecular Weight212.29 g/mol
Exact Mass212.00
IUPAC Name4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
SMILESCOc1c(S)ccc2sc(O)cc12
InChIInChI=1S/C9H8O2S2/c1-11-9-5-4-8(10)13-7(5)3-2-6(9)12/h2-4,10,12H,1H3
InChIKeyOBFXYQVZYAPPMT-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-nitro-5-sulfanyl-1-benzothiophen-2-ol
CID 131196124
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
2-chloro-3-methoxy-1-benzothiophen-5-ol
CID 130792465
(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130914899
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
7-sulfanyl-1-benzothiophene-2,4-diol
CID 130971818
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
4-amino-6-methoxy-1-benzothiophen-2-ol
CID 130821157
4-amino-5-ethoxy-1-benzothiophen-2-ol
CID 130941853
(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
CID 130898913
2-fluoro-4-methoxy-5-methyl-1-benzothiophene
CID 130803509

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol?
The IUPAC name of 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol (CID 130821366) is 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol.
What is the SMILES notation for 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol?
The canonical SMILES for 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol is COc1c(S)ccc2sc(O)cc12.
What is the InChIKey of 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol?
The InChIKey is OBFXYQVZYAPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2S2/c1-11-9-5-4-8(10)13-7(5)3-2-6(9)12/h2-4,10,12H,1H3.
What are the key properties of 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol?
4-methoxy-5-sulfanyl-1-benzothiophen-2-ol has a molecular weight of 212.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-sulfanyl-1-benzothiophen-2-ol is sourced from PubChem (CID 130821366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).