6-methoxy-4H-indeno[1,2-c]dithiole-3-thione

C11H8OS3 — CID 22353901

IUPAC6-methoxy-4H-indeno[1,2-c]dithiole-3-thione
SMILESCOc1ccc2c(c1)Cc1c-2ssc1=S
InChIInChI=1S/C11H8OS3/c1-12-7-2-3-8-6(4-7)5-9-10(8)14-15-11(9)13/h2-4H,5H2,1H3
InChIKeyICSLZZGIQGGIQI-UHFFFAOYSA-N
MW252.38 g/mol
LogP4.12
Rot. Bonds1

About 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione

6-methoxy-4H-indeno[1,2-c]dithiole-3-thione (PubChem CID 22353901) has the molecular formula C11H8OS3 and a molecular weight of 252.38 g/mol. Its IUPAC name is 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione.

Molecular Properties

Compound Name6-methoxy-4H-indeno[1,2-c]dithiole-3-thione
PubChem CID22353901
Molecular FormulaC11H8OS3
Molecular Weight252.38 g/mol
Exact Mass251.97
IUPAC Name6-methoxy-4H-indeno[1,2-c]dithiole-3-thione
SMILESCOc1ccc2c(c1)Cc1c-2ssc1=S
InChIInChI=1S/C11H8OS3/c1-12-7-2-3-8-6(4-7)5-9-10(8)14-15-11(9)13/h2-4H,5H2,1H3
InChIKeyICSLZZGIQGGIQI-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione?
The IUPAC name of 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione (CID 22353901) is 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione.
What is the SMILES notation for 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione?
The canonical SMILES for 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione is COc1ccc2c(c1)Cc1c-2ssc1=S.
What is the InChIKey of 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione?
The InChIKey is ICSLZZGIQGGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8OS3/c1-12-7-2-3-8-6(4-7)5-9-10(8)14-15-11(9)13/h2-4H,5H2,1H3.
What are the key properties of 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione?
6-methoxy-4H-indeno[1,2-c]dithiole-3-thione has a molecular weight of 252.38 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4H-indeno[1,2-c]dithiole-3-thione is sourced from PubChem (CID 22353901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).