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CAS 1132-69-0 4-NITROPHENYL CHLOROTHIOFORMATE molecular structure lightbox
CAS RN: 1132-69-0

4-NITROPHENYL CHLOROTHIOFORMATE

  • Product code: SSC-013382
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1132-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

1132-69-0 / O-(4-nitrophenyl) chloromethanethioate

4-NITROPHENYL CHLOROTHIOFORMATE | O-(4-nitrophenyl) chloromethanethioate | MFCD03425108

Standard CAS: 1132-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1132-69-0
Multi CAS
No
Molecular Formula
C7H4ClNO3S
Molecular Weight
217.630000
Exact Mass
216.960042
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=S)Cl
InChI
InChI=1S/C7H4ClNO3S/c8-7(13)12-6-3-1-5(2-4-6)9(10)11/h1-4H
InChIKey
UHQPEESVLYUICU-UHFFFAOYSA-N
Synonyms
4-NITROPHENYL CHLOROTHIOFORMATE O-(4-nitrophenyl) chloromethanethioate MFCD03425108 4-Nitrophenyl chlorothionoformate NSC 171716

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.18
TPSA
52.37

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
3.2
Consensus LogP
2.63
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

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

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