trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane

C20H24S2Sn2 — CID 142287598

IUPACtrimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane
SMILESC[Sn](C)(C)c1cc2c(ccc3c4cc([Sn](C)(C)C)sc4ccc23)s1
InChIInChI=1S/C14H6S2.6CH3.2Sn/c1-3-13-12(6-8-15-13)10-2-4-14-11(9(1)10)5-7-16-14;;;;;;;;/h1-6H;6*1H3;;
InChIKeyHDIAVYHQOMYQHA-UHFFFAOYSA-N
MW565.97 g/mol
LogP6.36
Rot. Bonds2

About trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane

trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane (PubChem CID 142287598) has the molecular formula C20H24S2Sn2 and a molecular weight of 565.97 g/mol. Its IUPAC name is trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane.

Molecular Properties

Compound Nametrimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane
PubChem CID142287598
Molecular FormulaC20H24S2Sn2
Molecular Weight565.97 g/mol
Exact Mass567.94
IUPAC Nametrimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane
SMILESC[Sn](C)(C)c1cc2c(ccc3c4cc([Sn](C)(C)C)sc4ccc23)s1
InChIInChI=1S/C14H6S2.6CH3.2Sn/c1-3-13-12(6-8-15-13)10-2-4-14-11(9(1)10)5-7-16-14;;;;;;;;/h1-6H;6*1H3;;
InChIKeyHDIAVYHQOMYQHA-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.97
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,16-bis(5-methylthiophen-2-yl)-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 144714716
7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
CID 157481440
7-methyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411635
(6-chlorothieno[3,2-c]pyridin-2-yl)-trimethylstannane
CID 166146158
thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
7,16-dibutoxy-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651531
7-methyl-2-prop-1-ynyl-[1]benzothiolo[5,4-e][1]benzothiole
CID 146751468
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
trimethyl-[2-[14-(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)-4-oxa-10,13-dithia-3,5-diazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2,5,7(11),8,14-hexaen-9-yl]thieno[3,2-b]thiophen-5-yl]stannane
CID 163984741
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
ethyl-[(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)methyl]tin
CID 140651479

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane?
The IUPAC name of trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane (CID 142287598) is trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane.
What is the SMILES notation for trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane?
The canonical SMILES for trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane is C[Sn](C)(C)c1cc2c(ccc3c4cc([Sn](C)(C)C)sc4ccc23)s1.
What is the InChIKey of trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane?
The InChIKey is HDIAVYHQOMYQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6S2.6CH3.2Sn/c1-3-13-12(6-8-15-13)10-2-4-14-11(9(1)10)5-7-16-14;;;;;;;;/h1-6H;6*1H3;;.
What are the key properties of trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane?
trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane has a molecular weight of 565.97 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-trimethylstannyl-[1]benzothiolo[5,4-e][1]benzothiol-7-yl)stannane is sourced from PubChem (CID 142287598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).