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CAS 670-98-4 Methyl Benzenesulfinate molecular structure lightbox
CAS RN: 670-98-4

Methyl Benzenesulfinate

  • Product code: SSC-176667
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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: 5g, 25g, 1g, 10g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 670-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Beijing Inquiry
1g >97% 4 In Stock Hong Kong Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
100g >97% 3 In Stock Beijing Inquiry
500g >97% 2 In Stock Shanghai Inquiry

670-98-4 / methyl benzenesulfinate

Standard CAS: 670-98-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
670-98-4
Multi CAS
No
Molecular Formula
C7H8O2S
Molecular Weight
156.200000
Exact Mass
156.024501
InChI
InChI=1S/C7H8O2S/c1-9-10(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
PSNSVDSRLUYDKF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.86
TPSA
26.3

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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