2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol

C10H10O2S2 — CID 131057252

IUPAC2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
SMILESCSc1c(O)ccc2cc(CO)sc12
InChIInChI=1S/C10H10O2S2/c1-13-10-8(12)3-2-6-4-7(5-11)14-9(6)10/h2-4,11-12H,5H2,1H3
InChIKeySOIMURSCTXSZEG-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.82
Rot. Bonds2

About 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol

2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol (PubChem CID 131057252) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
PubChem CID131057252
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
SMILESCSc1c(O)ccc2cc(CO)sc12
InChIInChI=1S/C10H10O2S2/c1-13-10-8(12)3-2-6-4-7(5-11)14-9(6)10/h2-4,11-12H,5H2,1H3
InChIKeySOIMURSCTXSZEG-UHFFFAOYSA-N
XLogP2.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
CID 130885124
(7-amino-6-bromo-1-benzothiophen-2-yl)methanol
CID 130805571
2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
CID 130805249
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638
(7-fluoro-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131145556
2-ethyl-7-methoxy-1-benzothiophen-6-ol
CID 131057609
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130855375
7-amino-2-(chloromethyl)-1-benzothiophen-6-ol
CID 130803179
2-methylsulfanylbenzene-1,3-diol
CID 68838462
4-hydroxy-2-(hydroxymethyl)-1-benzothiophene-7-carbonitrile
CID 130792551
6-hydroxy-7-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 131145574

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol?
The IUPAC name of 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol (CID 131057252) is 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol.
What is the SMILES notation for 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol?
The canonical SMILES for 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol is CSc1c(O)ccc2cc(CO)sc12.
What is the InChIKey of 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol?
The InChIKey is SOIMURSCTXSZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-13-10-8(12)3-2-6-4-7(5-11)14-9(6)10/h2-4,11-12H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol?
2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol has a molecular weight of 226.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol is sourced from PubChem (CID 131057252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).