(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

C13H9Cl2NS2 — CID 80733867

IUPAC(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cc2sccc2s1
InChIInChI=1S/C13H9Cl2NS2/c14-8-2-1-7(5-9(8)15)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2
InChIKeyLMMDFWXHNIWJLF-UHFFFAOYSA-N
MW314.26 g/mol
LogP5.32
Rot. Bonds2

About (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80733867) has the molecular formula C13H9Cl2NS2 and a molecular weight of 314.26 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80733867
Molecular FormulaC13H9Cl2NS2
Molecular Weight314.26 g/mol
Exact Mass312.96
IUPAC Name(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1cc2sccc2s1
InChIInChI=1S/C13H9Cl2NS2/c14-8-2-1-7(5-9(8)15)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2
InChIKeyLMMDFWXHNIWJLF-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.26
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048658
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80733867) is (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1ccc(Cl)c(Cl)c1)c1cc2sccc2s1.
What is the InChIKey of (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is LMMDFWXHNIWJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NS2/c14-8-2-1-7(5-9(8)15)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2.
What are the key properties of (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 314.26 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80733867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).