4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane

C34H44OS4Sn2 — CID 159963992

IUPAC4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane
SMILESC1CCOC1.Cc1c2cc([Sn](C)(C)C)sc2c(C)c2cc([Sn](C)(C)C)sc12.Cc1c2ccsc2c(C)c2ccsc12
InChIInChI=1S/C12H10S2.C12H8S2.C4H8O.6CH3.2Sn/c2*1-7-9-3-5-14-12(9)8(2)10-4-6-13-11(7)10;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;3-4H,1-2H3;1-4H2;6*1H3;;
InChIKeyODROQHVESGGTCB-UHFFFAOYSA-N
MW834.41 g/mol
LogP11.35
Rot. Bonds2

About 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane

4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane (PubChem CID 159963992) has the molecular formula C34H44OS4Sn2 and a molecular weight of 834.41 g/mol. Its IUPAC name is 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane.

Molecular Properties

Compound Name4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane
PubChem CID159963992
Molecular FormulaC34H44OS4Sn2
Molecular Weight834.41 g/mol
Exact Mass836.03
IUPAC Name4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane
SMILESC1CCOC1.Cc1c2cc([Sn](C)(C)C)sc2c(C)c2cc([Sn](C)(C)C)sc12.Cc1c2ccsc2c(C)c2ccsc12
InChIInChI=1S/C12H10S2.C12H8S2.C4H8O.6CH3.2Sn/c2*1-7-9-3-5-14-12(9)8(2)10-4-6-13-11(7)10;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;3-4H,1-2H3;1-4H2;6*1H3;;
InChIKeyODROQHVESGGTCB-UHFFFAOYSA-N
XLogP11.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.41
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane?
The IUPAC name of 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane (CID 159963992) is 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane.
What is the SMILES notation for 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane?
The canonical SMILES for 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane is C1CCOC1.Cc1c2cc([Sn](C)(C)C)sc2c(C)c2cc([Sn](C)(C)C)sc12.Cc1c2ccsc2c(C)c2ccsc12.
What is the InChIKey of 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane?
The InChIKey is ODROQHVESGGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2.C12H8S2.C4H8O.6CH3.2Sn/c2*1-7-9-3-5-14-12(9)8(2)10-4-6-13-11(7)10;1-2-4-5-3-1;;;;;;;;/h3-6H,1-2H3;3-4H,1-2H3;1-4H2;6*1H3;;.
What are the key properties of 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane?
4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane has a molecular weight of 834.41 g/mol, XLogP of 11.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylthieno[2,3-f][1]benzothiole;(4,8-dimethyl-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl)-trimethylstannane;oxolane is sourced from PubChem (CID 159963992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).