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

C10H10O2S2 — CID 130898867

IUPAC5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol
SMILESCSc1cc(CO)cc2cc(O)sc12
InChIInChI=1S/C10H10O2S2/c1-13-8-3-6(5-11)2-7-4-9(12)14-10(7)8/h2-4,11-12H,5H2,1H3
InChIKeyPRTNNSHYVNEFPZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.82
Rot. Bonds2

About 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol

5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol (PubChem CID 130898867) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol
PubChem CID130898867
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol
SMILESCSc1cc(CO)cc2cc(O)sc12
InChIInChI=1S/C10H10O2S2/c1-13-8-3-6(5-11)2-7-4-9(12)14-10(7)8/h2-4,11-12H,5H2,1H3
InChIKeyPRTNNSHYVNEFPZ-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-bromo-5-(chloromethyl)-7-methylsulfanyl-1-benzothiophene
CID 130985155
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077
5-(hydroxymethyl)-2-sulfanyl-1-benzothiophen-7-ol
CID 130826901
7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol
CID 130789001
(7-amino-2-fluoro-1-benzothiophen-5-yl)methanol
CID 130788720
ethane;(4-methyl-3-methylsulfanylphenyl)methanol
CID 143859740
6-(hydroxymethyl)-2-methylsulfanyl-1-benzothiophen-4-ol
CID 131000518
(3-methoxy-5-methylsulfanyl-4-propoxyphenyl)methanol
CID 15044964
7-amino-5-fluoro-1-benzothiophen-2-ol
CID 131169647
7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
CID 131169665
2-iodo-7-methylsulfanyl-1-benzothiophen-5-amine
CID 130816712
(7-bromo-2-iodo-1-benzothiophen-5-yl)methanol
CID 130839973

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol?
The IUPAC name of 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol (CID 130898867) is 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol.
What is the SMILES notation for 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol?
The canonical SMILES for 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol is CSc1cc(CO)cc2cc(O)sc12.
What is the InChIKey of 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol?
The InChIKey is PRTNNSHYVNEFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-13-8-3-6(5-11)2-7-4-9(12)14-10(7)8/h2-4,11-12H,5H2,1H3.
What are the key properties of 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol?
5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-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 5-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-2-ol is sourced from PubChem (CID 130898867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).