3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine

C16H14N2S4 — CID 164668292

IUPAC3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine
SMILESCN(c1ccsc1)c1csc2c(N(C)c3ccsc3)csc12
InChIInChI=1S/C16H14N2S4/c1-17(11-3-5-19-7-11)13-9-21-16-14(10-22-15(13)16)18(2)12-4-6-20-8-12/h3-10H,1-2H3
InChIKeyYQGYUFOEGZLSEQ-UHFFFAOYSA-N
MW362.57 g/mol
LogP6.62
Rot. Bonds4

About 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine

3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine (PubChem CID 164668292) has the molecular formula C16H14N2S4 and a molecular weight of 362.57 g/mol. Its IUPAC name is 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine
PubChem CID164668292
Molecular FormulaC16H14N2S4
Molecular Weight362.57 g/mol
Exact Mass362.00
IUPAC Name3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine
SMILESCN(c1ccsc1)c1csc2c(N(C)c3ccsc3)csc12
InChIInChI=1S/C16H14N2S4/c1-17(11-3-5-19-7-11)13-9-21-16-14(10-22-15(13)16)18(2)12-4-6-20-8-12/h3-10H,1-2H3
InChIKeyYQGYUFOEGZLSEQ-UHFFFAOYSA-N
XLogP6.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine?
The IUPAC name of 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine (CID 164668292) is 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine?
The canonical SMILES for 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine is CN(c1ccsc1)c1csc2c(N(C)c3ccsc3)csc12.
What is the InChIKey of 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine?
The InChIKey is YQGYUFOEGZLSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S4/c1-17(11-3-5-19-7-11)13-9-21-16-14(10-22-15(13)16)18(2)12-4-6-20-8-12/h3-10H,1-2H3.
What are the key properties of 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine?
3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine has a molecular weight of 362.57 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dimethyl-3-N,6-N-di(thiophen-3-yl)thieno[3,2-b]thiophene-3,6-diamine is sourced from PubChem (CID 164668292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).