3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol

C10H10OS2 — CID 130944026

IUPAC3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol
SMILESCSc1cc(O)cc2c(C)csc12
InChIInChI=1S/C10H10OS2/c1-6-5-13-10-8(6)3-7(11)4-9(10)12-2/h3-5,11H,1-2H3
InChIKeyONOVYUCIIWBHRM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.64
Rot. Bonds1

About 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol

3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol (PubChem CID 130944026) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol
PubChem CID130944026
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol
SMILESCSc1cc(O)cc2c(C)csc12
InChIInChI=1S/C10H10OS2/c1-6-5-13-10-8(6)3-7(11)4-9(10)12-2/h3-5,11H,1-2H3
InChIKeyONOVYUCIIWBHRM-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-methylsulfanyl-1-benzothiophen-5-ol
CID 130942191
(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130951650
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
3,5-dimethyl-1-benzothiophene-7-thiol
CID 131098252
5-fluoro-7-methylsulfanyl-1-benzothiophene-3-carbaldehyde
CID 130825606
3-methyl-7-methylsulfanylthieno[3,2-b]pyridine
CID 70670025
7-methyl-4-methylsulfanyl-1-benzothiophen-2-ol
CID 130789001
4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861
3-methylsulfanyl-1-benzothiophene-4,7-diol
CID 130969427
7-(difluoromethyl)-5-iodo-3-methyl-1-benzothiophene
CID 131030950
3-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-ol
CID 130821591
7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
CID 131076036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol?
The IUPAC name of 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol (CID 130944026) is 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol.
What is the SMILES notation for 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol?
The canonical SMILES for 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol is CSc1cc(O)cc2c(C)csc12.
What is the InChIKey of 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol?
The InChIKey is ONOVYUCIIWBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6-5-13-10-8(6)3-7(11)4-9(10)12-2/h3-5,11H,1-2H3.
What are the key properties of 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol?
3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol has a molecular weight of 210.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol is sourced from PubChem (CID 130944026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).