trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane

C20H24N2S3Sn2 — CID 58153009

IUPACtrimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane
SMILESC[Sn](C)(C)c1ccc(-c2ccc(-c3ccc([Sn](C)(C)C)s3)c3nsnc23)s1
InChIInChI=1S/C14H6N2S3.6CH3.2Sn/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14;;;;;;;;/h1-6H;6*1H3;;
InChIKeyINHYKPMJJAWZKY-UHFFFAOYSA-N
MW626.05 g/mol
LogP6.24
Rot. Bonds4

About trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane

trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane (PubChem CID 58153009) has the molecular formula C20H24N2S3Sn2 and a molecular weight of 626.05 g/mol. Its IUPAC name is trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane.

Molecular Properties

Compound Nametrimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane
PubChem CID58153009
Molecular FormulaC20H24N2S3Sn2
Molecular Weight626.05 g/mol
Exact Mass627.91
IUPAC Nametrimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane
SMILESC[Sn](C)(C)c1ccc(-c2ccc(-c3ccc([Sn](C)(C)C)s3)c3nsnc23)s1
InChIInChI=1S/C14H6N2S3.6CH3.2Sn/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14;;;;;;;;/h1-6H;6*1H3;;
InChIKeyINHYKPMJJAWZKY-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.05
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane?
The IUPAC name of trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane (CID 58153009) is trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane.
What is the SMILES notation for trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane?
The canonical SMILES for trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane is C[Sn](C)(C)c1ccc(-c2ccc(-c3ccc([Sn](C)(C)C)s3)c3nsnc23)s1.
What is the InChIKey of trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane?
The InChIKey is INHYKPMJJAWZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N2S3.6CH3.2Sn/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14;;;;;;;;/h1-6H;6*1H3;;.
What are the key properties of trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane?
trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane has a molecular weight of 626.05 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-[4-(5-trimethylstannylthiophen-2-yl)-2,1,3-benzothiadiazol-7-yl]thiophen-2-yl]stannane is sourced from PubChem (CID 58153009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).