CAS RN: 1072-72-6
4-Oxothiane
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250114 | 100g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250515 | 10g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20260602 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry | |
| Batchno.20250612 | 1kg | Out of stock | Inquiry | ||
| Batchno.20250822 | 25g | In stock | Chengdu | Inquiry | |
| Batchno.20260112 | 500g | In stock | Chengdu | Inquiry | |
| Batchno.20250223 | 5g | In stock | Wuhan, Chengdu | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250308 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-008665
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, 10g, 25g, 100g, 1g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 5 In Stock | Beijing | Inquiry |
| 1g | >98% | 4 In Stock | Beijing | Inquiry |
| 500g | >98% | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
1072-72-6 / thian-4-one
2-Methyltetrahydrothiophen-3-one | Dihydro-2-methyl-3(2H)-thiophenone | 3(2H)-Thiophenone, dihydro-2-methyl-
Basic Information
CAS
1072-72-6
Multi CAS
Yes
Molecular Formula
C5H8OS
Molecular Weight
116.180000
Exact Mass
116.029586
SMILES
C1CSCCC1=O
InChI
InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
InChIKey
OVRJVKCZJCNSOW-UHFFFAOYSA-N
Synonyms
2-Methyltetrahydrothiophen-3-one
Dihydro-2-methyl-3(2H)-thiophenone
3(2H)-Thiophenone, dihydro-2-methyl-
2-Methyl-3-oxotetrahydrothiophene
FEMA No. 3512
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
31.57
TPSA
17.07
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
XLogP3
0.3
Consensus LogP
0.77
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (91.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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