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CAS 170961-15-6 Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 170961-15-6

Carbamic acid, 2-thiazolyl-, 1,1-dimethylethyl ester (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250714 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-075312
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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: 5g, 10g, 25g, 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 170961-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

170961-15-6 / tert-butyl N-(1,3-thiazol-2-yl)carbamate

Standard CAS: 170961-15-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
170961-15-6
Multi CAS
No
Molecular Formula
C8H12N2O2S
Molecular Weight
200.260000
Exact Mass
200.061949
SMILES
CC(C)(C)OC(=O)NC1=NC=CS1
InChI
InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)
InChIKey
NCJXQSNROJRSSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.97
TPSA
51.22

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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)
-2.17

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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