7-methylthieno[3,2-g][1]benzothiol-2-amine

C11H9NS2 — CID 129228320

IUPAC7-methylthieno[3,2-g][1]benzothiol-2-amine
SMILESCc1cc2ccc3cc(N)sc3c2s1
InChIInChI=1S/C11H9NS2/c1-6-4-7-2-3-8-5-9(12)14-11(8)10(7)13-6/h2-5H,12H2,1H3
InChIKeyGXRYLIZAZZHHCW-UHFFFAOYSA-N
MW219.33 g/mol
LogP4.01
Rot. Bonds

About 7-methylthieno[3,2-g][1]benzothiol-2-amine

7-methylthieno[3,2-g][1]benzothiol-2-amine (PubChem CID 129228320) has the molecular formula C11H9NS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-methylthieno[3,2-g][1]benzothiol-2-amine.

Molecular Properties

Compound Name7-methylthieno[3,2-g][1]benzothiol-2-amine
PubChem CID129228320
Molecular FormulaC11H9NS2
Molecular Weight219.33 g/mol
Exact Mass219.02
IUPAC Name7-methylthieno[3,2-g][1]benzothiol-2-amine
SMILESCc1cc2ccc3cc(N)sc3c2s1
InChIInChI=1S/C11H9NS2/c1-6-4-7-2-3-8-5-9(12)14-11(8)10(7)13-6/h2-5H,12H2,1H3
InChIKeyGXRYLIZAZZHHCW-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylthieno[3,2-g][1]benzothiol-2-amine?
The IUPAC name of 7-methylthieno[3,2-g][1]benzothiol-2-amine (CID 129228320) is 7-methylthieno[3,2-g][1]benzothiol-2-amine.
What is the SMILES notation for 7-methylthieno[3,2-g][1]benzothiol-2-amine?
The canonical SMILES for 7-methylthieno[3,2-g][1]benzothiol-2-amine is Cc1cc2ccc3cc(N)sc3c2s1.
What is the InChIKey of 7-methylthieno[3,2-g][1]benzothiol-2-amine?
The InChIKey is GXRYLIZAZZHHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS2/c1-6-4-7-2-3-8-5-9(12)14-11(8)10(7)13-6/h2-5H,12H2,1H3.
What are the key properties of 7-methylthieno[3,2-g][1]benzothiol-2-amine?
7-methylthieno[3,2-g][1]benzothiol-2-amine has a molecular weight of 219.33 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylthieno[3,2-g][1]benzothiol-2-amine is sourced from PubChem (CID 129228320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).