7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol

C10H10O2S2 — CID 130821413

IUPAC7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
SMILESCOc1c(SC)cc(O)c2ccsc12
InChIInChI=1S/C10H10O2S2/c1-12-9-8(13-2)5-7(11)6-3-4-14-10(6)9/h3-5,11H,1-2H3
InChIKeyGYBDTLCTDGRZGJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.34
Rot. Bonds2

About 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol

7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol (PubChem CID 130821413) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
PubChem CID130821413
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol
SMILESCOc1c(SC)cc(O)c2ccsc12
InChIInChI=1S/C10H10O2S2/c1-12-9-8(13-2)5-7(11)6-3-4-14-10(6)9/h3-5,11H,1-2H3
InChIKeyGYBDTLCTDGRZGJ-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-7-methoxy-1-benzothiophen-4-ol
CID 130857297
4-methoxythieno[2,3-f][1]benzothiol-8-ol
CID 144770940
4-fluoro-5-methoxy-1-benzothiophen-7-ol
CID 131196385
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
4-methoxy-1-benzothiophen-7-ol
CID 119095255
5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
CID 131196121
6-chloro-4-fluoro-7-methoxy-1-benzothiophene
CID 130866206
6-iodo-4-methylsulfanyl-1-benzothiophene-7-thiol
CID 130821648
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol (CID 130821413) is 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol is COc1c(SC)cc(O)c2ccsc12.
What is the InChIKey of 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol?
The InChIKey is GYBDTLCTDGRZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-12-9-8(13-2)5-7(11)6-3-4-14-10(6)9/h3-5,11H,1-2H3.
What are the key properties of 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol?
7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol has a molecular weight of 226.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-methylsulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 130821413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).