dithiophen-2-ylmethyl-(4-nitrophenyl)diazene

C15H11N3O2S2 — CID 90915578

IUPACdithiophen-2-ylmethyl-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C(c2cccs2)c2cccs2)cc1
InChIInChI=1S/C15H11N3O2S2/c19-18(20)12-7-5-11(6-8-12)16-17-15(13-3-1-9-21-13)14-4-2-10-22-14/h1-10,15H/b17-16+
InChIKeyDBRTZGPPEYNABU-WUKNDPDISA-N
MW329.41 g/mol
LogP5.59
Rot. Bonds5

About dithiophen-2-ylmethyl-(4-nitrophenyl)diazene

dithiophen-2-ylmethyl-(4-nitrophenyl)diazene (PubChem CID 90915578) has the molecular formula C15H11N3O2S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is dithiophen-2-ylmethyl-(4-nitrophenyl)diazene.

Molecular Properties

Compound Namedithiophen-2-ylmethyl-(4-nitrophenyl)diazene
PubChem CID90915578
Molecular FormulaC15H11N3O2S2
Molecular Weight329.41 g/mol
Exact Mass329.03
IUPAC Namedithiophen-2-ylmethyl-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C(c2cccs2)c2cccs2)cc1
InChIInChI=1S/C15H11N3O2S2/c19-18(20)12-7-5-11(6-8-12)16-17-15(13-3-1-9-21-13)14-4-2-10-22-14/h1-10,15H/b17-16+
InChIKeyDBRTZGPPEYNABU-WUKNDPDISA-N
XLogP5.59
TPSA67.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl)-phenyldiazene
CID 17222
methyl-(4-nitrophenyl)diazene
CID 20760343
2-[(4-nitrophenyl)diazenyl]propanoic acid
CID 91000303
2-(4-nitrophenyl)thiophene
CID 609512
(4-nitrophenyl)-[(R)-phenoxy(phenyl)methyl]diazene
CID 7088618
5-[(4-nitrophenyl)diazenyl]-4-thiophen-2-yl-1,3-selenazol-2-amine
CID 137301649
1-nitro-4-nitrosobenzene
CID 643547
N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 43534507
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
(3-nitrophenyl)-thiophen-2-ylmethanamine
CID 22215325
1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 115345078
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854

Frequently Asked Questions

What is the IUPAC name of dithiophen-2-ylmethyl-(4-nitrophenyl)diazene?
The IUPAC name of dithiophen-2-ylmethyl-(4-nitrophenyl)diazene (CID 90915578) is dithiophen-2-ylmethyl-(4-nitrophenyl)diazene.
What is the SMILES notation for dithiophen-2-ylmethyl-(4-nitrophenyl)diazene?
The canonical SMILES for dithiophen-2-ylmethyl-(4-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/C(c2cccs2)c2cccs2)cc1.
What is the InChIKey of dithiophen-2-ylmethyl-(4-nitrophenyl)diazene?
The InChIKey is DBRTZGPPEYNABU-WUKNDPDISA-N. The full InChI is InChI=1S/C15H11N3O2S2/c19-18(20)12-7-5-11(6-8-12)16-17-15(13-3-1-9-21-13)14-4-2-10-22-14/h1-10,15H/b17-16+.
What are the key properties of dithiophen-2-ylmethyl-(4-nitrophenyl)diazene?
dithiophen-2-ylmethyl-(4-nitrophenyl)diazene has a molecular weight of 329.41 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dithiophen-2-ylmethyl-(4-nitrophenyl)diazene is sourced from PubChem (CID 90915578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).