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CAS 1195-16-0 3-Acetamidotetrahydro-2-thiophenone molecular structure lightbox
CAS RN: 1195-16-0

3-Acetamidotetrahydro-2-thiophenone

Product Availability

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12 package records11 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 100g In stock Inquiry
Batchno.20251224 25g In stock Inquiry
Batchno.20260503 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 100g In stock Shenzhen Inquiry
Batchno.20250516 100mg In stock Shanghai Inquiry
Batchno.20260326 250mg In stock Shanghai Inquiry
Batchno.20251024 25g In stock Tianjin, Wuhan Inquiry
Batchno.20250917 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251010 100g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250407 25g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260517 5g In stock Tianjin Inquiry
  • Product code: SSC-020031
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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: 25g
  • 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 1195-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

1195-16-0 / N-(2-oxothiolan-3-yl)acetamide

citiolone | Acetamide, N-(tetrahydro-2-oxo-3-thienyl)- | N-(2-oxothiolan-3-yl)acetamide

Standard CAS: 1195-16-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1195-16-0
Multi CAS
Yes
Molecular Formula
C6H9NO2S
Molecular Weight
159.210000
Exact Mass
159.035400
SMILES
CC(=O)NC1CCSC1=O
InChI
InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKey
NRFJZTXWLKPZAV-UHFFFAOYSA-N
Synonyms
citiolone Acetamide, N-(tetrahydro-2-oxo-3-thienyl)- N-(2-oxothiolan-3-yl)acetamide N-(TETRAHYDRO-2-OXO-3-THIENYL)ACETAMIDE N-Acetylhomocysteine thiolactone

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.69
TPSA
46.17

LogP / Solubility

WLOGP
0.15
MLOGP
0.13
XLogP3
-0.3
Consensus LogP
-0.01
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.58

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
2

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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