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CAS 116529-31-8 4-Aminotetrahydro-2H-thiopyran 1,1-Dioxide Hydrochloride molecular structure lightbox
CAS RN: 116529-31-8

4-Aminotetrahydro-2H-thiopyran 1,1-Dioxide Hydrochloride

Product Availability

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7 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 1g In stock Inquiry
Batchno.20251219 250mg In stock Inquiry
Batchno.20251105 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 10g In stock Wuhan, Chengdu Inquiry
Batchno.20251221 1g In stock Shanghai Inquiry
Batchno.20260305 25g Out of stock Inquiry
Batchno.20250320 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-016505
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • 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 116529-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 2 In Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

116529-31-8 / 1,1-dioxothian-4-amine;hydrochloride

4-amino-1lambda6-thiane-1,1-dione hydrochloride | RefChem:517515 | 807-292-6

Standard CAS: 116529-31-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116529-31-8
Multi CAS
Yes
Molecular Formula
C5H12ClNO2S
Molecular Weight
185.670000
Exact Mass
185.027728
SMILES
C1CS(=O)(=O)CCC1N.Cl
InChI
InChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H
InChIKey
XUECUYGAJXDZKG-UHFFFAOYSA-N
Synonyms
4-amino-1lambda6-thiane-1,1-dione hydrochloride RefChem:517515 807-292-6 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride 1,1-dioxo-tetrahydrothiopyran-4-amine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.11
TPSA
60.16

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
-0.06
Consensus LogP
-0.06
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.82
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)
-3.89

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
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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