(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane

C17H28S2Sn — CID 175212484

IUPAC(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane
SMILESCCCCCCC1([Sn](C)(C)C)CC=C(c2cccs2)S1
InChIInChI=1S/C14H19S2.3CH3.Sn/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13;;;;/h6,8,10-11H,2-5,7,9H2,1H3;3*1H3;
InChIKeyRYXNXYPTVWNXSG-UHFFFAOYSA-N
MW415.26 g/mol
LogP6.81
Rot. Bonds7

About (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane

(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane (PubChem CID 175212484) has the molecular formula C17H28S2Sn and a molecular weight of 415.26 g/mol. Its IUPAC name is (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane.

Molecular Properties

Compound Name(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane
PubChem CID175212484
Molecular FormulaC17H28S2Sn
Molecular Weight415.26 g/mol
Exact Mass416.07
IUPAC Name(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane
SMILESCCCCCCC1([Sn](C)(C)C)CC=C(c2cccs2)S1
InChIInChI=1S/C14H19S2.3CH3.Sn/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13;;;;/h6,8,10-11H,2-5,7,9H2,1H3;3*1H3;
InChIKeyRYXNXYPTVWNXSG-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.26
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Pentylthiophene
CID 20995
2-Methylthiophene
CID 11126
2-Ethylthiophene
CID 13388
2-Hexylthiophene
CID 87793
2-Butylthiophene
CID 73818
2,5-Dimethylthiophene
CID 12514
5-(3-Buten-1-ynyl)-2,2'-bithienyl
CID 70813
2-Ethyl-5-methylthiophene
CID 520990
2-Octylthiophene
CID 70153
2-Propylthiophene
CID 73771
2-Butyl-5-ethylthiophene
CID 521504
2,2'-Bithiophene
CID 68120

Frequently Asked Questions

What is the IUPAC name of (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane?
The IUPAC name of (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane (CID 175212484) is (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane.
What is the SMILES notation for (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane?
The canonical SMILES for (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane is CCCCCCC1([Sn](C)(C)C)CC=C(c2cccs2)S1.
What is the InChIKey of (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane?
The InChIKey is RYXNXYPTVWNXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19S2.3CH3.Sn/c1-2-3-4-5-7-12-9-10-14(16-12)13-8-6-11-15-13;;;;/h6,8,10-11H,2-5,7,9H2,1H3;3*1H3;.
What are the key properties of (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane?
(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane has a molecular weight of 415.26 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-trimethylstannane is sourced from PubChem (CID 175212484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).