(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol

C10H10OS3 — CID 130821395

IUPAC(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
SMILESCSc1ccc(CO)c2scc(S)c12
InChIInChI=1S/C10H10OS3/c1-13-8-3-2-6(4-11)10-9(8)7(12)5-14-10/h2-3,5,11-12H,4H2,1H3
InChIKeyOTUJNIBAEMYYHU-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.40
Rot. Bonds2

About (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol

(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol (PubChem CID 130821395) has the molecular formula C10H10OS3 and a molecular weight of 242.39 g/mol. Its IUPAC name is (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
PubChem CID130821395
Molecular FormulaC10H10OS3
Molecular Weight242.39 g/mol
Exact Mass241.99
IUPAC Name(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
SMILESCSc1ccc(CO)c2scc(S)c12
InChIInChI=1S/C10H10OS3/c1-13-8-3-2-6(4-11)10-9(8)7(12)5-14-10/h2-3,5,11-12H,4H2,1H3
InChIKeyOTUJNIBAEMYYHU-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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Related Compounds

7-ethyl-4-methylsulfanyl-1-benzothiophen-3-ol
CID 131223384
(7-amino-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130955601
3-(bromomethyl)-4-methylsulfanyl-1-benzothiophene-7-thiol
CID 131146004
(6-methylsulfanyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131057348
(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131000562
(5-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131123423
7-(hydroxymethyl)-1-benzothiophene-3,4-diol
CID 130803250
4-ethyl-3-sulfanyl-1-benzothiophen-7-ol
CID 131123131
(6-methyl-3-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130961954
7-(chloromethyl)-3-sulfanyl-1-benzothiophen-4-ol
CID 130884454
[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035
(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130951650

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol (CID 130821395) is (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol is CSc1ccc(CO)c2scc(S)c12.
What is the InChIKey of (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol?
The InChIKey is OTUJNIBAEMYYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS3/c1-13-8-3-2-6(4-11)10-9(8)7(12)5-14-10/h2-3,5,11-12H,4H2,1H3.
What are the key properties of (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol?
(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-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 (4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 130821395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).