3-diazo-2-thiophen-2-ylindole

C12H7N3S — CID 12705301

IUPAC3-diazo-2-thiophen-2-ylindole
SMILES[N-]=[N+]=C1C(c2cccs2)=Nc2ccccc21
InChIInChI=1S/C12H7N3S/c13-15-11-8-4-1-2-5-9(8)14-12(11)10-6-3-7-16-10/h1-7H
InChIKeyVONTXHONQUACIT-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds1

About 3-diazo-2-thiophen-2-ylindole

3-diazo-2-thiophen-2-ylindole (PubChem CID 12705301) has the molecular formula C12H7N3S and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-diazo-2-thiophen-2-ylindole.

Molecular Properties

Compound Name3-diazo-2-thiophen-2-ylindole
PubChem CID12705301
Molecular FormulaC12H7N3S
Molecular Weight225.28 g/mol
Exact Mass225.04
IUPAC Name3-diazo-2-thiophen-2-ylindole
SMILES[N-]=[N+]=C1C(c2cccs2)=Nc2ccccc21
InChIInChI=1S/C12H7N3S/c13-15-11-8-4-1-2-5-9(8)14-12(11)10-6-3-7-16-10/h1-7H
InChIKeyVONTXHONQUACIT-UHFFFAOYSA-N
XLogP2.90
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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N,N-dimethyl-4-(2-thiophen-2-yl-3H-1,3,4-benzotriazepin-5-yl)aniline
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(2Z)-2-(3-thiophen-2-yl-1H-quinoxalin-2-ylidene)acetate
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3,6-dithiophen-2-ylbenzene-1,2-diol
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2-thiophen-2-ylthiophene;triazine
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4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-thiophen-2-yl-1,3-oxazol-5-ol
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2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
7-methyl-2-phenyl-5-thiophen-2-yl-3H-1,3,4-benzotriazepine
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Frequently Asked Questions

What is the IUPAC name of 3-diazo-2-thiophen-2-ylindole?
The IUPAC name of 3-diazo-2-thiophen-2-ylindole (CID 12705301) is 3-diazo-2-thiophen-2-ylindole.
What is the SMILES notation for 3-diazo-2-thiophen-2-ylindole?
The canonical SMILES for 3-diazo-2-thiophen-2-ylindole is [N-]=[N+]=C1C(c2cccs2)=Nc2ccccc21.
What is the InChIKey of 3-diazo-2-thiophen-2-ylindole?
The InChIKey is VONTXHONQUACIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3S/c13-15-11-8-4-1-2-5-9(8)14-12(11)10-6-3-7-16-10/h1-7H.
What are the key properties of 3-diazo-2-thiophen-2-ylindole?
3-diazo-2-thiophen-2-ylindole has a molecular weight of 225.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-2-thiophen-2-ylindole is sourced from PubChem (CID 12705301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).