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CAS 1155-00-6 Bis(2-nitrophenyl) Disulfide molecular structure lightbox
CAS RN: 1155-00-6

Bis(2-nitrophenyl) Disulfide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTB0503
  • Purity/Analytical Methods: >98.0%(GC)(N)
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1155-00-6 / 1-nitro-2-[(2-nitrophenyl)disulfanyl]benzene

Bis(2-nitrophenyl) disulfide | Disulfide, bis(2-nitrophenyl) | o-Nitrophenyl disulfide

Standard CAS: 1155-00-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1155-00-6
Multi CAS
Yes
Molecular Formula
C12H8N2O4S2
Molecular Weight
308.300000
Exact Mass
307.992549
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])SSC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H
InChIKey
NXCKJENHTITELM-UHFFFAOYSA-N
Synonyms
Bis(2-nitrophenyl) disulfide Disulfide, bis(2-nitrophenyl) o-Nitrophenyl disulfide 2,2'-Dinitrodiphenyl disulfide Bis(o-nitrophenyl) disulfide

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
77.91
TPSA
86.28

LogP / Solubility

WLOGP
4.3
MLOGP
3.8
XLogP3
3.4
Consensus LogP
3.83
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 38 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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