thieno[3,2-e][1]benzothiole-2,7-diamine

C10H8N2S2 — CID 69036958

IUPACthieno[3,2-e][1]benzothiole-2,7-diamine
SMILESNc1cc2c(ccc3sc(N)cc32)s1
InChIInChI=1S/C10H8N2S2/c11-9-3-5-6-4-10(12)14-8(6)2-1-7(5)13-9/h1-4H,11-12H2
InChIKeyRRMBQOPOIKHNOJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.28
Rot. Bonds

About thieno[3,2-e][1]benzothiole-2,7-diamine

thieno[3,2-e][1]benzothiole-2,7-diamine (PubChem CID 69036958) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is thieno[3,2-e][1]benzothiole-2,7-diamine.

Molecular Properties

Compound Namethieno[3,2-e][1]benzothiole-2,7-diamine
PubChem CID69036958
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Namethieno[3,2-e][1]benzothiole-2,7-diamine
SMILESNc1cc2c(ccc3sc(N)cc32)s1
InChIInChI=1S/C10H8N2S2/c11-9-3-5-6-4-10(12)14-8(6)2-1-7(5)13-9/h1-4H,11-12H2
InChIKeyRRMBQOPOIKHNOJ-UHFFFAOYSA-N
XLogP3.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-e][1]benzothiole-2,7-diamine?
The IUPAC name of thieno[3,2-e][1]benzothiole-2,7-diamine (CID 69036958) is thieno[3,2-e][1]benzothiole-2,7-diamine.
What is the SMILES notation for thieno[3,2-e][1]benzothiole-2,7-diamine?
The canonical SMILES for thieno[3,2-e][1]benzothiole-2,7-diamine is Nc1cc2c(ccc3sc(N)cc32)s1.
What is the InChIKey of thieno[3,2-e][1]benzothiole-2,7-diamine?
The InChIKey is RRMBQOPOIKHNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c11-9-3-5-6-4-10(12)14-8(6)2-1-7(5)13-9/h1-4H,11-12H2.
What are the key properties of thieno[3,2-e][1]benzothiole-2,7-diamine?
thieno[3,2-e][1]benzothiole-2,7-diamine has a molecular weight of 220.32 g/mol, XLogP of 3.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-e][1]benzothiole-2,7-diamine is sourced from PubChem (CID 69036958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).