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CAS 95-29-4 N,N-DIISOPROPYLBENZOTHIAZOLE-2-SULFENAMIDE molecular structure lightbox
CAS RN: 95-29-4

N,N-DIISOPROPYLBENZOTHIAZOLE-2-SULFENAMIDE

  • Product code: SSC-210188
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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, 5g, 10g, 25g
  • Available purity: >95%
  • 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 95-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Shenzhen Inquiry

95-29-4 / N-(1,3-benzothiazol-2-ylsulfanyl)-N-propan-2-ylpropan-2-amine

Standard CAS: 95-29-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
95-29-4
Multi CAS
Yes
Molecular Formula
C13H18N2S2
Molecular Weight
266.400000
Exact Mass
266.091141
InChI
InChI=1S/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3
InChIKey
ILSQBBRAYMWZLQ-UHFFFAOYSA-N

Physical Properties

Physical Description
Yellow powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
77.59
TPSA
16.13

LogP / Solubility

WLOGP
4.42
MLOGP
3.9
XLogP3
4.5
Consensus LogP
4.27
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

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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