[email protected]
CAS 1107645-98-6 [(1, 1-Dioxotetrahydro-2H-thiopyran-4-yl)Methyl]aMine hydrochloride molecular structure lightbox
CAS RN: 1107645-98-6

[(1, 1-Dioxotetrahydro-2H-thiopyran-4-yl)Methyl]aMine hydrochloride

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 100mg In stock Shanghai Inquiry
Batchno.20260522 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260428 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250203 5g In stock Shanghai Inquiry
  • Product code: SSC-011726
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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >98%
  • 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 1107645-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >98% 0 Out of Stock Hong Kong Inquiry
0.1g >98% 0 Out of Stock Hong Kong Inquiry
0.25g >98% 0 Out of Stock Hong Kong Inquiry
1g >98% 0 Out of Stock Shenzhen Inquiry

1107645-98-6 / (1,1-dioxothian-4-yl)methanamine;hydrochloride

4-(aminomethyl)-1lambda6-thiane-1,1-dione hydrochloride | 1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanamine hydrochloride | RefChem:419256

Standard CAS: 1107645-98-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1107645-98-6
Multi CAS
Yes
Molecular Formula
C6H14ClNO2S
Molecular Weight
199.700000
Exact Mass
199.043378
SMILES
C1CS(=O)(=O)CCC1CN.Cl
InChI
InChI=1S/C6H13NO2S.ClH/c7-5-6-1-3-10(8,9)4-2-6;/h6H,1-5,7H2;1H
InChIKey
LPYYRXBBHROSHK-UHFFFAOYSA-N
Synonyms
4-(aminomethyl)-1lambda6-thiane-1,1-dione hydrochloride 1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanamine hydrochloride RefChem:419256 801-889-5 862-453-8

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.68
TPSA
60.16

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.8

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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

Customers Also Viewed

Get In Touch

Contact Us