(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol

C10H10OS3 — CID 130821394

IUPAC(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol
SMILESCSc1cc2ccsc2c(S)c1CO
InChIInChI=1S/C10H10OS3/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4,11-12H,5H2,1H3
InChIKeyPMXFMQGJETXANM-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.40
Rot. Bonds2

About (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol

(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol (PubChem CID 130821394) has the molecular formula C10H10OS3 and a molecular weight of 242.39 g/mol. Its IUPAC name is (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol
PubChem CID130821394
Molecular FormulaC10H10OS3
Molecular Weight242.39 g/mol
Exact Mass241.99
IUPAC Name(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol
SMILESCSc1cc2ccsc2c(S)c1CO
InChIInChI=1S/C10H10OS3/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4,11-12H,5H2,1H3
InChIKeyPMXFMQGJETXANM-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol (CID 130821394) is (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol is CSc1cc2ccsc2c(S)c1CO.
What is the InChIKey of (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol?
The InChIKey is PMXFMQGJETXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS3/c1-13-8-4-6-2-3-14-10(6)9(12)7(8)5-11/h2-4,11-12H,5H2,1H3.
What are the key properties of (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol?
(5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol has a molecular weight of 242.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130821394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).