ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin

C20H22S2Sn2 — CID 140682162

IUPACethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin
SMILESCC[Sn]Cc1cc2cc3cc4sc([Sn](C)(C)C)cc4cc3cc2s1
InChIInChI=1S/C15H8S2.C2H5.3CH3.2Sn/c1-9-4-13-6-12-7-14-10(2-3-16-14)5-11(12)8-15(13)17-9;1-2;;;;;/h2,4-8H,1H2;1H2,2H3;3*1H3;;
InChIKeyNFRSLHBICSODGD-UHFFFAOYSA-N
MW563.95 g/mol
LogP6.46
Rot. Bonds4

About ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin

ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin (PubChem CID 140682162) has the molecular formula C20H22S2Sn2 and a molecular weight of 563.95 g/mol. Its IUPAC name is ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin.

Molecular Properties

Compound Nameethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin
PubChem CID140682162
Molecular FormulaC20H22S2Sn2
Molecular Weight563.95 g/mol
Exact Mass565.92
IUPAC Nameethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin
SMILESCC[Sn]Cc1cc2cc3cc4sc([Sn](C)(C)C)cc4cc3cc2s1
InChIInChI=1S/C15H8S2.C2H5.3CH3.2Sn/c1-9-4-13-6-12-7-14-10(2-3-16-14)5-11(12)8-15(13)17-9;1-2;;;;;/h2,4-8H,1H2;1H2,2H3;3*1H3;;
InChIKeyNFRSLHBICSODGD-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.95
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-[(5-trimethylstannylthieno[3,2-b]thiophen-2-yl)methyl]tin
CID 140651479
ethyl-[(5-trimethylstannylthiophen-2-yl)methyl]tin
CID 58130831
(6-chlorothieno[3,2-c]pyridin-2-yl)-trimethylstannane
CID 166146158
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
2-(chloromethyl)-5,6-dimethyl-1-benzothiophene
CID 130866193
2-ethyl-5-iodo-1-benzothiophene-6-thiol
CID 130961893
6-chloro-2-ethyl-1-benzothiophen-5-amine
CID 130805171
19-dodecyl-20-thiahexacyclo[12.11.0.02,11.04,9.015,23.017,21]pentacosa-1(14),2,4,6,8,10,12,15,17(21),18,22,24-dodecaene
CID 58411035
6,18-didecyl-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58411235
6,18-di(undecyl)-7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
CID 58411074
6,18-didodecyl-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410775
6,18-di(undecyl)-5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411231

Frequently Asked Questions

What is the IUPAC name of ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin?
The IUPAC name of ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin (CID 140682162) is ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin.
What is the SMILES notation for ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin?
The canonical SMILES for ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin is CC[Sn]Cc1cc2cc3cc4sc([Sn](C)(C)C)cc4cc3cc2s1.
What is the InChIKey of ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin?
The InChIKey is NFRSLHBICSODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8S2.C2H5.3CH3.2Sn/c1-9-4-13-6-12-7-14-10(2-3-16-14)5-11(12)8-15(13)17-9;1-2;;;;;/h2,4-8H,1H2;1H2,2H3;3*1H3;;.
What are the key properties of ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin?
ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin has a molecular weight of 563.95 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(7-trimethylstannyl-[1]benzothiolo[6,5-f][1]benzothiol-2-yl)methyl]tin is sourced from PubChem (CID 140682162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).