4-methylidenephosphanyl-1-benzothiophen-7-amine

C9H8NPS — CID 174291567

IUPAC4-methylidenephosphanyl-1-benzothiophen-7-amine
SMILESC=Pc1ccc(N)c2sccc12
InChIInChI=1S/C9H8NPS/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5H,1,10H2
InChIKeyRPTHRXFEYLALGA-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.49
Rot. Bonds1

About 4-methylidenephosphanyl-1-benzothiophen-7-amine

4-methylidenephosphanyl-1-benzothiophen-7-amine (PubChem CID 174291567) has the molecular formula C9H8NPS and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-methylidenephosphanyl-1-benzothiophen-7-amine.

Molecular Properties

Compound Name4-methylidenephosphanyl-1-benzothiophen-7-amine
PubChem CID174291567
Molecular FormulaC9H8NPS
Molecular Weight193.21 g/mol
Exact Mass193.01
IUPAC Name4-methylidenephosphanyl-1-benzothiophen-7-amine
SMILESC=Pc1ccc(N)c2sccc12
InChIInChI=1S/C9H8NPS/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5H,1,10H2
InChIKeyRPTHRXFEYLALGA-UHFFFAOYSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidenephosphanyl-1-benzothiophen-7-amine?
The IUPAC name of 4-methylidenephosphanyl-1-benzothiophen-7-amine (CID 174291567) is 4-methylidenephosphanyl-1-benzothiophen-7-amine.
What is the SMILES notation for 4-methylidenephosphanyl-1-benzothiophen-7-amine?
The canonical SMILES for 4-methylidenephosphanyl-1-benzothiophen-7-amine is C=Pc1ccc(N)c2sccc12.
What is the InChIKey of 4-methylidenephosphanyl-1-benzothiophen-7-amine?
The InChIKey is RPTHRXFEYLALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NPS/c1-11-8-3-2-7(10)9-6(8)4-5-12-9/h2-5H,1,10H2.
What are the key properties of 4-methylidenephosphanyl-1-benzothiophen-7-amine?
4-methylidenephosphanyl-1-benzothiophen-7-amine has a molecular weight of 193.21 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenephosphanyl-1-benzothiophen-7-amine is sourced from PubChem (CID 174291567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).