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CAS 74734-11-5 1-(METHYLDITHIOCARBONYL)IMIDAZOLE molecular structure lightbox
CAS RN: 74734-11-5

1-(METHYLDITHIOCARBONYL)IMIDAZOLE

  • Product code: SSC-184199
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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, 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 74734-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 3 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry

74734-11-5 / methyl imidazole-1-carbodithioate

Standard CAS: 74734-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74734-11-5
Multi CAS
No
Molecular Formula
C5H6N2S2
Molecular Weight
158.200000
Exact Mass
157.997241
InChI
InChI=1S/C5H6N2S2/c1-9-5(8)7-3-2-6-4-7/h2-4H,1H3
InChIKey
ZSKBYJIWBCCFMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.74
TPSA
17.82

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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