trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane

C24H24S4Sn — CID 157481440

IUPACtrimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
SMILESCc1ccc(-c2c(-c3ccc(C)s3)c3sc([Sn](C)(C)C)cc3c3cc(C)sc23)s1
InChIInChI=1S/C21H15S4.3CH3.Sn/c1-11-4-6-16(23-11)18-19(17-7-5-12(2)24-17)21-15(10-13(3)25-21)14-8-9-22-20(14)18;;;;/h4-8,10H,1-3H3;3*1H3;
InChIKeyUJZXKICCBZDSNM-UHFFFAOYSA-N
MW559.44 g/mol
LogP9.04
Rot. Bonds3

About trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane

trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane (PubChem CID 157481440) has the molecular formula C24H24S4Sn and a molecular weight of 559.44 g/mol. Its IUPAC name is trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane.

Molecular Properties

Compound Nametrimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
PubChem CID157481440
Molecular FormulaC24H24S4Sn
Molecular Weight559.44 g/mol
Exact Mass559.98
IUPAC Nametrimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
SMILESCc1ccc(-c2c(-c3ccc(C)s3)c3sc([Sn](C)(C)C)cc3c3cc(C)sc23)s1
InChIInChI=1S/C21H15S4.3CH3.Sn/c1-11-4-6-16(23-11)18-19(17-7-5-12(2)24-17)21-15(10-13(3)25-21)14-8-9-22-20(14)18;;;;/h4-8,10H,1-3H3;3*1H3;
InChIKeyUJZXKICCBZDSNM-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.44
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4,8-bis(5-ethylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 177425963
1,3-bis(5-bromothiophen-2-yl)-5-(2-methylpropyl)thieno[3,4-c]pyrrole-4,6-dione;1,3-bis(5-bromothiophen-2-yl)-5-methylthieno[3,4-c]pyrrole-4,6-dione;[4,8-bis[5-(2-methylpropyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane;3-[5-[6-[5-[5-methyl-3-[5-[6-methyl-4,8-bis[5-(2-methylpropyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-4,6-dioxothieno[3,4-c]pyrrol-1-yl]thiophen-2-yl]-4,8-bis[5-(2-methylpropyl)thiophen-2-yl]thieno[2,3-f][1]benzothiol-2-yl]thiophen-2-yl]-5-(2-methylpropyl)-1-(5-methylthiophen-2-yl)thieno[3,4-c]pyrrole-4,6-dione
CID 160899200
trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane
CID 142287598
[4,8-bis(5-octan-3-ylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 131697925
[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
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
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
trimethyl-[6-methyl-4,8-bis(3-pentylundecyl)thieno[2,3-f][1]benzothiol-2-yl]stannane
CID 158936698
[4,8-bis(2-ethylhexoxy)-6-methylthieno[2,3-f][1]benzothiol-2-yl]-trimethylstannane
CID 58568477
2,6-dibromo-4-[5-(bromomethyl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole
CID 122370041
2-(4-chlorothiophen-2-yl)-5-methylthiophene
CID 58778168
2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane
CID 159175605

Frequently Asked Questions

What is the IUPAC name of trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane?
The IUPAC name of trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane (CID 157481440) is trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane.
What is the SMILES notation for trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane?
The canonical SMILES for trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane is Cc1ccc(-c2c(-c3ccc(C)s3)c3sc([Sn](C)(C)C)cc3c3cc(C)sc23)s1.
What is the InChIKey of trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane?
The InChIKey is UJZXKICCBZDSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15S4.3CH3.Sn/c1-11-4-6-16(23-11)18-19(17-7-5-12(2)24-17)21-15(10-13(3)25-21)14-8-9-22-20(14)18;;;;/h4-8,10H,1-3H3;3*1H3;.
What are the key properties of trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane?
trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane has a molecular weight of 559.44 g/mol, XLogP of 9.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane is sourced from PubChem (CID 157481440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).