4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide

C9H11N3S — CID 89153110

IUPAC4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)C1Cc2c(N)cccc2S1
InChIInChI=1S/C9H11N3S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-3,8H,4,10H2,(H3,11,12)
InChIKeyRVMAPRKTUZPJOK-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.22
Rot. Bonds1

About 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide

4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide (PubChem CID 89153110) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide
PubChem CID89153110
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)C1Cc2c(N)cccc2S1
InChIInChI=1S/C9H11N3S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-3,8H,4,10H2,(H3,11,12)
InChIKeyRVMAPRKTUZPJOK-UHFFFAOYSA-N
XLogP1.22
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide?
The IUPAC name of 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide (CID 89153110) is 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)C1Cc2c(N)cccc2S1.
What is the InChIKey of 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide?
The InChIKey is RVMAPRKTUZPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-3,8H,4,10H2,(H3,11,12).
What are the key properties of 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide?
4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide has a molecular weight of 193.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dihydro-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 89153110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).