7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine

C10H11NS2 — CID 131014208

IUPAC7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
SMILESCSc1cc(C)c2sc(N)cc2c1
InChIInChI=1S/C10H11NS2/c1-6-3-8(12-2)4-7-5-9(11)13-10(6)7/h3-5H,11H2,1-2H3
InChIKeyIGXLXSQQDQRJCK-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.51
Rot. Bonds1

About 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine

7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine (PubChem CID 131014208) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
PubChem CID131014208
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
SMILESCSc1cc(C)c2sc(N)cc2c1
InChIInChI=1S/C10H11NS2/c1-6-3-8(12-2)4-7-5-9(11)13-10(6)7/h3-5H,11H2,1-2H3
InChIKeyIGXLXSQQDQRJCK-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine?
The IUPAC name of 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine (CID 131014208) is 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine.
What is the SMILES notation for 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine?
The canonical SMILES for 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine is CSc1cc(C)c2sc(N)cc2c1.
What is the InChIKey of 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine?
The InChIKey is IGXLXSQQDQRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-6-3-8(12-2)4-7-5-9(11)13-10(6)7/h3-5H,11H2,1-2H3.
What are the key properties of 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine?
7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine is sourced from PubChem (CID 131014208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).