2-(benzotriazol-2-yldisulfanyl)benzotriazole

C12H8N6S2 — CID 118249510

IUPAC2-(benzotriazol-2-yldisulfanyl)benzotriazole
SMILESc1ccc2nn(SSn3nc4ccccc4n3)nc2c1
InChIInChI=1S/C12H8N6S2/c1-2-6-10-9(5-1)13-17(14-10)19-20-18-15-11-7-3-4-8-12(11)16-18/h1-8H
InChIKeyVYULKHPNAHRICE-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.78
Rot. Bonds3

About 2-(benzotriazol-2-yldisulfanyl)benzotriazole

2-(benzotriazol-2-yldisulfanyl)benzotriazole (PubChem CID 118249510) has the molecular formula C12H8N6S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(benzotriazol-2-yldisulfanyl)benzotriazole.

Molecular Properties

Compound Name2-(benzotriazol-2-yldisulfanyl)benzotriazole
PubChem CID118249510
Molecular FormulaC12H8N6S2
Molecular Weight300.37 g/mol
Exact Mass300.03
IUPAC Name2-(benzotriazol-2-yldisulfanyl)benzotriazole
SMILESc1ccc2nn(SSn3nc4ccccc4n3)nc2c1
InChIInChI=1S/C12H8N6S2/c1-2-6-10-9(5-1)13-17(14-10)19-20-18-15-11-7-3-4-8-12(11)16-18/h1-8H
InChIKeyVYULKHPNAHRICE-UHFFFAOYSA-N
XLogP2.78
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-iodobenzotriazole
CID 121405033
benzotriazol-2-ylalumane
CID 154405892
2-ethynylbenzotriazole
CID 102079904
2-[(2S,3S)-3-(benzotriazol-2-yl)butan-2-yl]benzotriazole
CID 40530281
2-(2-methylcyclopropyl)benzotriazole
CID 10678802
benzotriazol-2-yl(trimethoxy)silane
CID 86005679
2-[(Z)-4-(benzotriazol-2-yl)but-2-enyl]benzotriazole
CID 139251484
2-methylsulfonylbenzotriazole
CID 10397800
4-(benzotriazol-2-yl)phenol
CID 164896201
2-(benzotriazol-2-yl)ethanamine
CID 10487202
2-[bis(4-fluorophenyl)methyl]benzotriazole
CID 4587053
2-tert-butyl-1,2,4-benzotriazine-3-thione
CID 86035307

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yldisulfanyl)benzotriazole?
The IUPAC name of 2-(benzotriazol-2-yldisulfanyl)benzotriazole (CID 118249510) is 2-(benzotriazol-2-yldisulfanyl)benzotriazole.
What is the SMILES notation for 2-(benzotriazol-2-yldisulfanyl)benzotriazole?
The canonical SMILES for 2-(benzotriazol-2-yldisulfanyl)benzotriazole is c1ccc2nn(SSn3nc4ccccc4n3)nc2c1.
What is the InChIKey of 2-(benzotriazol-2-yldisulfanyl)benzotriazole?
The InChIKey is VYULKHPNAHRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6S2/c1-2-6-10-9(5-1)13-17(14-10)19-20-18-15-11-7-3-4-8-12(11)16-18/h1-8H.
What are the key properties of 2-(benzotriazol-2-yldisulfanyl)benzotriazole?
2-(benzotriazol-2-yldisulfanyl)benzotriazole has a molecular weight of 300.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yldisulfanyl)benzotriazole is sourced from PubChem (CID 118249510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).