4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine

C10H10N2S2 — CID 123308564

IUPAC4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine
SMILESNc1cc2c(s1)Cc1cc(N)sc1C2
InChIInChI=1S/C10H10N2S2/c11-9-3-5-1-7-6(2-8(5)14-9)4-10(12)13-7/h3-4H,1-2,11-12H2
InChIKeyZILDICMFSLOPAN-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.47
Rot. Bonds

About 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine

4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine (PubChem CID 123308564) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine.

Molecular Properties

Compound Name4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine
PubChem CID123308564
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine
SMILESNc1cc2c(s1)Cc1cc(N)sc1C2
InChIInChI=1S/C10H10N2S2/c11-9-3-5-1-7-6(2-8(5)14-9)4-10(12)13-7/h3-4H,1-2,11-12H2
InChIKeyZILDICMFSLOPAN-UHFFFAOYSA-N
XLogP2.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine?
The IUPAC name of 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine (CID 123308564) is 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine.
What is the SMILES notation for 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine?
The canonical SMILES for 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine is Nc1cc2c(s1)Cc1cc(N)sc1C2.
What is the InChIKey of 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine?
The InChIKey is ZILDICMFSLOPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c11-9-3-5-1-7-6(2-8(5)14-9)4-10(12)13-7/h3-4H,1-2,11-12H2.
What are the key properties of 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine?
4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydrothieno[2,3-f][1]benzothiole-2,6-diamine is sourced from PubChem (CID 123308564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).