3-(3-azidopropyl)thiophene

C7H9N3S — CID 118420983

IUPAC3-(3-azidopropyl)thiophene
SMILES[N-]=[N+]=NCCCc1ccsc1
InChIInChI=1S/C7H9N3S/c8-10-9-4-1-2-7-3-5-11-6-7/h3,5-6H,1-2,4H2
InChIKeyGGZFLDLKTZALSN-UHFFFAOYSA-N
MW167.24 g/mol
LogP2.99
Rot. Bonds4

About 3-(3-azidopropyl)thiophene

3-(3-azidopropyl)thiophene (PubChem CID 118420983) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 3-(3-azidopropyl)thiophene.

Molecular Properties

Compound Name3-(3-azidopropyl)thiophene
PubChem CID118420983
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name3-(3-azidopropyl)thiophene
SMILES[N-]=[N+]=NCCCc1ccsc1
InChIInChI=1S/C7H9N3S/c8-10-9-4-1-2-7-3-5-11-6-7/h3,5-6H,1-2,4H2
InChIKeyGGZFLDLKTZALSN-UHFFFAOYSA-N
XLogP2.99
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-thiophen-3-ylbutan-1-ol
CID 54222621
1-(diaminomethylidene)-2-(3-thiophen-3-ylpropyl)guanidine
CID 70250571
3-(6-bromohexyl)thiophene
CID 11447992
3-heptylthiophene;3-hexylthiophene
CID 159152668
12-thiophen-3-yldodecan-1-ol
CID 67533520
12-thiophen-3-yldodecane-1-thiol
CID 71363861
4-thiophen-3-ylbutanoate
CID 86324435
1-(4-azidobutyl)-4-bromobenzene
CID 151024491
5-thiophen-3-ylpentanal
CID 15807672
azane;3-propylthiophene
CID 174446539
N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62529819
5-thiophen-3-ylpentanamide
CID 11171370

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidopropyl)thiophene?
The IUPAC name of 3-(3-azidopropyl)thiophene (CID 118420983) is 3-(3-azidopropyl)thiophene.
What is the SMILES notation for 3-(3-azidopropyl)thiophene?
The canonical SMILES for 3-(3-azidopropyl)thiophene is [N-]=[N+]=NCCCc1ccsc1.
What is the InChIKey of 3-(3-azidopropyl)thiophene?
The InChIKey is GGZFLDLKTZALSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c8-10-9-4-1-2-7-3-5-11-6-7/h3,5-6H,1-2,4H2.
What are the key properties of 3-(3-azidopropyl)thiophene?
3-(3-azidopropyl)thiophene has a molecular weight of 167.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidopropyl)thiophene is sourced from PubChem (CID 118420983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).