7-methyl-5,6-dihydro-1-benzothiophen-6-amine

C9H11NS — CID 89073817

IUPAC7-methyl-5,6-dihydro-1-benzothiophen-6-amine
SMILESCC1=c2sccc2=CCC1N
InChIInChI=1S/C9H11NS/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2,4-5,8H,3,10H2,1H3
InChIKeySESNHOFSMNLGTH-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.43
Rot. Bonds

About 7-methyl-5,6-dihydro-1-benzothiophen-6-amine

7-methyl-5,6-dihydro-1-benzothiophen-6-amine (PubChem CID 89073817) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 7-methyl-5,6-dihydro-1-benzothiophen-6-amine.

Molecular Properties

Compound Name7-methyl-5,6-dihydro-1-benzothiophen-6-amine
PubChem CID89073817
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name7-methyl-5,6-dihydro-1-benzothiophen-6-amine
SMILESCC1=c2sccc2=CCC1N
InChIInChI=1S/C9H11NS/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2,4-5,8H,3,10H2,1H3
InChIKeySESNHOFSMNLGTH-UHFFFAOYSA-N
XLogP0.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5,6-dihydro-1-benzothiophen-6-amine?
The IUPAC name of 7-methyl-5,6-dihydro-1-benzothiophen-6-amine (CID 89073817) is 7-methyl-5,6-dihydro-1-benzothiophen-6-amine.
What is the SMILES notation for 7-methyl-5,6-dihydro-1-benzothiophen-6-amine?
The canonical SMILES for 7-methyl-5,6-dihydro-1-benzothiophen-6-amine is CC1=c2sccc2=CCC1N.
What is the InChIKey of 7-methyl-5,6-dihydro-1-benzothiophen-6-amine?
The InChIKey is SESNHOFSMNLGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2,4-5,8H,3,10H2,1H3.
What are the key properties of 7-methyl-5,6-dihydro-1-benzothiophen-6-amine?
7-methyl-5,6-dihydro-1-benzothiophen-6-amine has a molecular weight of 165.26 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5,6-dihydro-1-benzothiophen-6-amine is sourced from PubChem (CID 89073817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).