(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane

C32H54S2Sn2 — CID 66653400

IUPAC(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
SMILESCCCCCCCCc1c2cc([Sn](C)(C)C)sc2c(CCCCCCCC)c2sc([Sn](C)(C)C)cc12
InChIInChI=1S/C26H36S2.6CH3.2Sn/c1-3-5-7-9-11-13-15-21-22-17-19-27-25(22)24(26-23(21)18-20-28-26)16-14-12-10-8-6-4-2;;;;;;;;/h17-18H,3-16H2,1-2H3;6*1H3;;
InChIKeyFRMKHRVTZUFWPP-UHFFFAOYSA-N
MW740.34 g/mol
LogP11.01
Rot. Bonds16

About (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane

(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane (PubChem CID 66653400) has the molecular formula C32H54S2Sn2 and a molecular weight of 740.34 g/mol. Its IUPAC name is (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane.

Molecular Properties

Compound Name(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
PubChem CID66653400
Molecular FormulaC32H54S2Sn2
Molecular Weight740.34 g/mol
Exact Mass742.17
IUPAC Name(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane
SMILESCCCCCCCCc1c2cc([Sn](C)(C)C)sc2c(CCCCCCCC)c2sc([Sn](C)(C)C)cc12
InChIInChI=1S/C26H36S2.6CH3.2Sn/c1-3-5-7-9-11-13-15-21-22-17-19-27-25(22)24(26-23(21)18-20-28-26)16-14-12-10-8-6-4-2;;;;;;;;/h17-18H,3-16H2,1-2H3;6*1H3;;
InChIKeyFRMKHRVTZUFWPP-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.34
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane with MolForge

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Related Compounds

trimethyl-[6-methyl-4,8-bis(3-pentylundecyl)thieno[2,3-f][1]benzothiol-2-yl]stannane
CID 158936698
2,6-dibromo-4,8-didecylthieno[2,3-f][1]benzothiole
CID 68810648
trimethyl-(3-octyl-5-trimethylstannylthiophen-2-yl)stannane
CID 154725648
[4,8-bis(5-hexylfuran-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 177391534
[5-[3,4-dioctyl-5-(5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 153302217
CID 140668957
CID 140668957
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
(5-dec-1-en-3-yl-4-iodo-2-trimethylstannylthieno[3,2-g][1]benzothiol-7-yl)-trimethylstannane
CID 163705261
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319
2,3,6,7,9,10-hexaheptylanthracene
CID 14089080
2,7-dibromo-4,5-dioctyl-1-benzothiophene
CID 141421142
[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-trimethylstannane
CID 58568477

Frequently Asked Questions

What is the IUPAC name of (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane?
The IUPAC name of (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane (CID 66653400) is (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane.
What is the SMILES notation for (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane?
The canonical SMILES for (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane is CCCCCCCCc1c2cc([Sn](C)(C)C)sc2c(CCCCCCCC)c2sc([Sn](C)(C)C)cc12.
What is the InChIKey of (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane?
The InChIKey is FRMKHRVTZUFWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36S2.6CH3.2Sn/c1-3-5-7-9-11-13-15-21-22-17-19-27-25(22)24(26-23(21)18-20-28-26)16-14-12-10-8-6-4-2;;;;;;;;/h17-18H,3-16H2,1-2H3;6*1H3;;.
What are the key properties of (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane?
(4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane has a molecular weight of 740.34 g/mol, XLogP of 11.01, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dioctyl-2-trimethylstannylthieno[3,2-f][1]benzothiol-6-yl)-trimethylstannane is sourced from PubChem (CID 66653400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).