[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane

C28H34S4Sn2 — CID 177425963

IUPAC[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
SMILESCCc1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc(CC)s3)c3cc([Sn](C)(C)C)sc23)s1
InChIInChI=1S/C22H16S4.6CH3.2Sn/c1-3-13-5-7-17(25-13)19-15-9-11-24-22(15)20(16-10-12-23-21(16)19)18-8-6-14(4-2)26-18;;;;;;;;/h5-10H,3-4H2,1-2H3;6*1H3;;
InChIKeyKVYHXTDAOZYGNF-UHFFFAOYSA-N
MW736.27 g/mol
LogP9.79
Rot. Bonds6

About [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane

[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane (PubChem CID 177425963) has the molecular formula C28H34S4Sn2 and a molecular weight of 736.27 g/mol. Its IUPAC name is [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane.

Molecular Properties

Compound Name[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
PubChem CID177425963
Molecular FormulaC28H34S4Sn2
Molecular Weight736.27 g/mol
Exact Mass737.96
IUPAC Name[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
SMILESCCc1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc(CC)s3)c3cc([Sn](C)(C)C)sc23)s1
InChIInChI=1S/C22H16S4.6CH3.2Sn/c1-3-13-5-7-17(25-13)19-15-9-11-24-22(15)20(16-10-12-23-21(16)19)18-8-6-14(4-2)26-18;;;;;;;;/h5-10H,3-4H2,1-2H3;6*1H3;;
InChIKeyKVYHXTDAOZYGNF-UHFFFAOYSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.27
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trimethyl-[methyl-[6-[5-[4-[5-[6-[methyl-bis(trimethylsilyloxy)silyl]hexyl]thiophen-2-yl]-2,6-bis(trimethylstannyl)thieno[2,3-f][1]benzothiol-8-yl]thiophen-2-yl]hexyl]-trimethylsilyloxysilyl]oxysilane
CID 176786497
[4,8-bis(5-octan-3-ylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 131697925
[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-7-yl]-trimethylstannane
CID 177402550
trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
CID 157481440
8-(5-tert-butylthiophen-2-yl)-2-ethyl-4-(5-ethylthiophen-2-yl)-6-methylthieno[2,3-f][1]benzothiole
CID 145347015
[5-[5-[4,8-bis(5-but-2-enylthiophen-2-yl)-6-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 159682005
[4,8-bis(5-hexylfuran-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 177391534
2,6-dibromo-4-[5-(bromomethyl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole
CID 122370041
2,5-diethylthiophene
CID 521294
2,7-bis(5-ethylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 59141277
ethane;2-(5-ethylthiophen-2-yl)pyridine
CID 142831461
ethane;4-[5-(2-ethylhexyl)thiophen-2-yl]-6-methyl-2-trimethylstannyl-1-benzothiophene-5-thiol
CID 144587984

Frequently Asked Questions

What is the IUPAC name of [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
The IUPAC name of [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane (CID 177425963) is [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane.
What is the SMILES notation for [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
The canonical SMILES for [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane is CCc1ccc(-c2c3cc([Sn](C)(C)C)sc3c(-c3ccc(CC)s3)c3cc([Sn](C)(C)C)sc23)s1.
What is the InChIKey of [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
The InChIKey is KVYHXTDAOZYGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16S4.6CH3.2Sn/c1-3-13-5-7-17(25-13)19-15-9-11-24-22(15)20(16-10-12-23-21(16)19)18-8-6-14(4-2)26-18;;;;;;;;/h5-10H,3-4H2,1-2H3;6*1H3;;.
What are the key properties of [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane?
[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane has a molecular weight of 736.27 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane is sourced from PubChem (CID 177425963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).