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

C10H10OS2 — CID 131001451

IUPAC2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1cc(O)c2sc(C)cc2c1
InChIInChI=1S/C10H10OS2/c1-6-3-7-4-8(12-2)5-9(11)10(7)13-6/h3-5,11H,1-2H3
InChIKeyUZMIKCICJYCHCI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.64
Rot. Bonds1

About 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol

2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol (PubChem CID 131001451) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol
PubChem CID131001451
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol
SMILESCSc1cc(O)c2sc(C)cc2c1
InChIInChI=1S/C10H10OS2/c1-6-3-7-4-8(12-2)5-9(11)10(7)13-6/h3-5,11H,1-2H3
InChIKeyUZMIKCICJYCHCI-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

2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
CID 131014208
2-iodo-6-methylsulfanyl-1-benzothiophen-4-ol
CID 131014707
7-chloro-2-methyl-1-benzothiophen-5-amine
CID 130969769
2-fluoro-7-iodo-5-methylsulfanyl-1-benzothiophene
CID 130913448
7-chloro-5-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130956451
ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
CID 162759779
4-hydroxy-6-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122803
2,5-dimethylthieno[2,3-b]thiophene
CID 58807308
6-(chloromethyl)-2-methyl-1-benzothiophen-5-ol
CID 130826737
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-7-amine
CID 131053468
2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
CID 130969913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol?
The IUPAC name of 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol (CID 131001451) is 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol?
The canonical SMILES for 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol is CSc1cc(O)c2sc(C)cc2c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol?
The InChIKey is UZMIKCICJYCHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-6-3-7-4-8(12-2)5-9(11)10(7)13-6/h3-5,11H,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol?
2-methyl-5-methylsulfanyl-1-benzothiophen-7-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 2-methyl-5-methylsulfanyl-1-benzothiophen-7-ol is sourced from PubChem (CID 131001451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).