6-methylsulfanyl-1-benzothiophene-5,7-diamine

C9H10N2S2 — CID 131053735

IUPAC6-methylsulfanyl-1-benzothiophene-5,7-diamine
SMILESCSc1c(N)cc2ccsc2c1N
InChIInChI=1S/C9H10N2S2/c1-12-9-6(10)4-5-2-3-13-8(5)7(9)11/h2-4H,10-11H2,1H3
InChIKeyUAXRNQRJONBZPL-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.79
Rot. Bonds1

About 6-methylsulfanyl-1-benzothiophene-5,7-diamine

6-methylsulfanyl-1-benzothiophene-5,7-diamine (PubChem CID 131053735) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 6-methylsulfanyl-1-benzothiophene-5,7-diamine.

Molecular Properties

Compound Name6-methylsulfanyl-1-benzothiophene-5,7-diamine
PubChem CID131053735
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name6-methylsulfanyl-1-benzothiophene-5,7-diamine
SMILESCSc1c(N)cc2ccsc2c1N
InChIInChI=1S/C9H10N2S2/c1-12-9-6(10)4-5-2-3-13-8(5)7(9)11/h2-4H,10-11H2,1H3
InChIKeyUAXRNQRJONBZPL-UHFFFAOYSA-N
XLogP2.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1-benzothiophene-5,7-diamine?
The IUPAC name of 6-methylsulfanyl-1-benzothiophene-5,7-diamine (CID 131053735) is 6-methylsulfanyl-1-benzothiophene-5,7-diamine.
What is the SMILES notation for 6-methylsulfanyl-1-benzothiophene-5,7-diamine?
The canonical SMILES for 6-methylsulfanyl-1-benzothiophene-5,7-diamine is CSc1c(N)cc2ccsc2c1N.
What is the InChIKey of 6-methylsulfanyl-1-benzothiophene-5,7-diamine?
The InChIKey is UAXRNQRJONBZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-12-9-6(10)4-5-2-3-13-8(5)7(9)11/h2-4H,10-11H2,1H3.
What are the key properties of 6-methylsulfanyl-1-benzothiophene-5,7-diamine?
6-methylsulfanyl-1-benzothiophene-5,7-diamine has a molecular weight of 210.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1-benzothiophene-5,7-diamine is sourced from PubChem (CID 131053735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).