[email protected]
CAS 95-31-8 N-tert-Butyl-2-benzothiazolesulfenamide molecular structure lightbox
CAS RN: 95-31-8

N-tert-Butyl-2-benzothiazolesulfenamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-210189
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 95-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

95-31-8 / N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine

Standard CAS: 95-31-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
95-31-8
Multi CAS
Yes
Molecular Formula
C11H14N2S2
Molecular Weight
238.400000
Exact Mass
238.059841
InChI
InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
InChIKey
IUJLOAKJZQBENM-UHFFFAOYSA-N

Physical Properties

Melting Point
104 °C (MIN)
Density
1.29 @ 25 °C
Physical Description
Pellets or Large Crystals; Dry Powder, Pellets or Large Crystals; Dry Powder; Other Solid Light beige solid; Sometimes blue; [HSDB] Light buff to tan powder
Appearance
LIGHT BUFF POWDER OR FLAKES; SOMETIMES COLORED BLUE
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.37
TPSA
24.92

LogP / Solubility

WLOGP
3.69
MLOGP
3.25
XLogP3
3.4
Consensus LogP
3.45
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
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
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us