6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol

C10H10O2S2 — CID 131000518

IUPAC6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol
SMILESCSc1cc2c(O)cc(CO)cc2s1
InChIInChI=1S/C10H10O2S2/c1-13-10-4-7-8(12)2-6(5-11)3-9(7)14-10/h2-4,11-12H,5H2,1H3
InChIKeyLMKYETFNXJLQKH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.82
Rot. Bonds2

About 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol

6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol (PubChem CID 131000518) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol
PubChem CID131000518
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol
SMILESCSc1cc2c(O)cc(CO)cc2s1
InChIInChI=1S/C10H10O2S2/c1-13-10-4-7-8(12)2-6(5-11)3-9(7)14-10/h2-4,11-12H,5H2,1H3
InChIKeyLMKYETFNXJLQKH-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

4-fluoro-6-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821281
6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
CID 130941761
2-iodo-6-methylsulfanyl-1-benzothiophen-4-ol
CID 131014707
6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131001321
(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
CID 130788851
6-(hydroxymethyl)-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130900261
5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol
CID 130898867
5-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130821327
4-hydroxy-6-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122803
2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
CID 130803524
5-(chloromethyl)-2-methylsulfanyl-1-benzothiophene-4-thiol
CID 131146672
6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde
CID 130827144

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol (CID 131000518) is 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol is CSc1cc2c(O)cc(CO)cc2s1.
What is the InChIKey of 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol?
The InChIKey is LMKYETFNXJLQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-13-10-4-7-8(12)2-6(5-11)3-9(7)14-10/h2-4,11-12H,5H2,1H3.
What are the key properties of 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol?
6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-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 6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 131000518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).