6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol

C10H10S3 — CID 130913391

IUPAC6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol
SMILESCSc1c(C)cc(S)c2ccsc12
InChIInChI=1S/C10H10S3/c1-6-5-8(11)7-3-4-13-10(7)9(6)12-2/h3-5,11H,1-2H3
InChIKeyGVBJYBBFEMXHID-UHFFFAOYSA-N
MW226.39 g/mol
LogP4.22
Rot. Bonds1

About 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol

6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol (PubChem CID 130913391) has the molecular formula C10H10S3 and a molecular weight of 226.39 g/mol. Its IUPAC name is 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol.

Molecular Properties

Compound Name6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol
PubChem CID130913391
Molecular FormulaC10H10S3
Molecular Weight226.39 g/mol
Exact Mass225.99
IUPAC Name6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol
SMILESCSc1c(C)cc(S)c2ccsc12
InChIInChI=1S/C10H10S3/c1-6-5-8(11)7-3-4-13-10(7)9(6)12-2/h3-5,11H,1-2H3
InChIKeyGVBJYBBFEMXHID-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
5,7-diiodo-4-methylsulfanyl-1-benzothiophene
CID 130969546
4-ethyl-6-methyl-1-benzothiophene-7-thiol
CID 131196353
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130857326
2-(4-methyl-6-sulfanyl-1-benzothiophen-7-yl)acetonitrile
CID 130900275
4-bromo-5-methylsulfanyl-1-benzothiophene-7-thiol
CID 131033759
4,7-diiodo-5-methyl-1-benzothiophene
CID 130805284
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449
5-fluoro-4-methylsulfanyl-1-benzothiophen-7-ol
CID 131196121
(5-methylsulfanyl-4-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131219140
(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130899140

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol?
The IUPAC name of 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol (CID 130913391) is 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol.
What is the SMILES notation for 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol?
The canonical SMILES for 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol is CSc1c(C)cc(S)c2ccsc12.
What is the InChIKey of 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol?
The InChIKey is GVBJYBBFEMXHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S3/c1-6-5-8(11)7-3-4-13-10(7)9(6)12-2/h3-5,11H,1-2H3.
What are the key properties of 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol?
6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol has a molecular weight of 226.39 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-methylsulfanyl-1-benzothiophene-4-thiol is sourced from PubChem (CID 130913391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).